1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone

C93H121N9O4 — CID 159940147

IUPAC1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCN(c3ccccc3)CC2)c2ccccc12.CCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H28N2O.C23H27N3O.C23H34N2O.C23H32N2O/c1-19(27)23-18-26(24-11-6-5-10-22(23)24)15-7-14-25-16-12-21(13-17-25)20-8-3-2-4-9-20;1-19(27)22-18-26(23-11-6-5-10-21(22)23)13-7-12-24-14-16-25(17-15-24)20-8-3-2-4-9-20;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;1-3-4-5-9-20-12-16-24(17-13-20)14-8-15-25-18-22(19(2)26)21-10-6-7-11-23(21)25/h2-6,8-11,18,21H,7,12-17H2,1H3;2-6,8-11,18H,7,12-17H2,1H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;6-7,9-11,18H,3-5,8,12-17H2,1-2H3
InChIKeyOATRHADPEALGPI-UHFFFAOYSA-N
MW1429.05 g/mol
LogP20.00
Rot. Bonds28

About 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-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-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 159940147) has the molecular formula C93H121N9O4 and a molecular weight of 1429.05 g/mol. Its IUPAC name is 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone
PubChem CID159940147
Molecular FormulaC93H121N9O4
Molecular Weight1429.05 g/mol
Exact Mass1427.95
IUPAC Name1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCN(c3ccccc3)CC2)c2ccccc12.CCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C24H28N2O.C23H27N3O.C23H34N2O.C23H32N2O/c1-19(27)23-18-26(24-11-6-5-10-22(23)24)15-7-14-25-16-12-21(13-17-25)20-8-3-2-4-9-20;1-19(27)22-18-26(23-11-6-5-10-21(22)23)13-7-12-24-14-16-25(17-15-24)20-8-3-2-4-9-20;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;1-3-4-5-9-20-12-16-24(17-13-20)14-8-15-25-18-22(19(2)26)21-10-6-7-11-23(21)25/h2-6,8-11,18,21H,7,12-17H2,1H3;2-6,8-11,18H,7,12-17H2,1H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;6-7,9-11,18H,3-5,8,12-17H2,1-2H3
InChIKeyOATRHADPEALGPI-UHFFFAOYSA-N
XLogP20.00
TPSA104.20 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.05
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-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-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 159940147) is 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(c3ccccc3)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCN(c3ccccc3)CC2)c2ccccc12.CCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.
What is the InChIKey of 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone?
The InChIKey is OATRHADPEALGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O.C23H27N3O.C23H34N2O.C23H32N2O/c1-19(27)23-18-26(24-11-6-5-10-22(23)24)15-7-14-25-16-12-21(13-17-25)20-8-3-2-4-9-20;1-19(27)22-18-26(23-11-6-5-10-21(22)23)13-7-12-24-14-16-25(17-15-24)20-8-3-2-4-9-20;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;1-3-4-5-9-20-12-16-24(17-13-20)14-8-15-25-18-22(19(2)26)21-10-6-7-11-23(21)25/h2-6,8-11,18,21H,7,12-17H2,1H3;2-6,8-11,18H,7,12-17H2,1H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;6-7,9-11,18H,3-5,8,12-17H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-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-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 1429.05 g/mol, XLogP of 20.00, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-pentylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperazin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-phenylpiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159940147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).