1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C133H192N12O8 — CID 159547062

IUPAC1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESC=CCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCC1CCN(CCCn2ccc3cccc(OC)c32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H36N2O.C23H34N2O.C22H30N2O2.C22H32N2O.C21H28N2O2.C21H32N2O/c1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-18(2)9-10-20-11-15-24(16-12-20)13-6-14-25-17-22(19(3)26)21-7-4-5-8-23(21)25;1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18;1-3-4-8-19-11-15-23(16-12-19)13-7-14-24-17-21(18(2)25)20-9-5-6-10-22(20)24;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23;1-3-4-7-18-10-15-22(16-11-18)13-6-14-23-17-12-19-8-5-9-20(24-2)21(19)23/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;2-3,5-6,15,18-19H,4,7-14,16H2,1H3;5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3;3-5,7-8,16,18H,1,6,9-15H2,2H3;5,8-9,12,17-18H,3-4,6-7,10-11,13-16H2,1-2H3
InChIKeyMEXXLFZGANIHFP-UHFFFAOYSA-N
MW2087.07 g/mol
LogP29.40
Rot. Bonds50

About 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 159547062) has the molecular formula C133H192N12O8 and a molecular weight of 2087.07 g/mol. Its IUPAC name is 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
PubChem CID159547062
Molecular FormulaC133H192N12O8
Molecular Weight2087.07 g/mol
Exact Mass2085.50
IUPAC Name1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESC=CCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCC1CCN(CCCn2ccc3cccc(OC)c32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H36N2O.C23H34N2O.C22H30N2O2.C22H32N2O.C21H28N2O2.C21H32N2O/c1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-18(2)9-10-20-11-15-24(16-12-20)13-6-14-25-17-22(19(3)26)21-7-4-5-8-23(21)25;1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18;1-3-4-8-19-11-15-23(16-12-19)13-7-14-24-17-21(18(2)25)20-9-5-6-10-22(20)24;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23;1-3-4-7-18-10-15-22(16-11-18)13-6-14-23-17-12-19-8-5-9-20(24-2)21(19)23/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;2-3,5-6,15,18-19H,4,7-14,16H2,1H3;5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3;3-5,7-8,16,18H,1,6,9-15H2,2H3;5,8-9,12,17-18H,3-4,6-7,10-11,13-16H2,1-2H3
InChIKeyMEXXLFZGANIHFP-UHFFFAOYSA-N
XLogP29.40
TPSA162.06 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds50
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.07
LogP ≤ 529.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 159547062) is 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is C=CCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCC1CCN(CCCn2ccc3cccc(OC)c32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.
What is the InChIKey of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
The InChIKey is MEXXLFZGANIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O.C23H34N2O.C22H30N2O2.C22H32N2O.C21H28N2O2.C21H32N2O/c1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-18(2)9-10-20-11-15-24(16-12-20)13-6-14-25-17-22(19(3)26)21-7-4-5-8-23(21)25;1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18;1-3-4-8-19-11-15-23(16-12-19)13-7-14-24-17-21(18(2)25)20-9-5-6-10-22(20)24;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23;1-3-4-7-18-10-15-22(16-11-18)13-6-14-23-17-12-19-8-5-9-20(24-2)21(19)23/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;2-3,5-6,15,18-19H,4,7-14,16H2,1H3;5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3;3-5,7-8,16,18H,1,6,9-15H2,2H3;5,8-9,12,17-18H,3-4,6-7,10-11,13-16H2,1-2H3.
What are the key properties of 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?
1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2087.07 g/mol, XLogP of 29.40, 50 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159547062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).