[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone

C25H36N2O2 — CID 58967725

IUPAC[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
SMILESCCCCC1CCN(CCCn2cc(C(=O)C3CC3)c3cccc(OC)c32)CC1
InChIInChI=1S/C25H36N2O2/c1-3-4-7-19-12-16-26(17-13-19)14-6-15-27-18-22(25(28)20-10-11-20)21-8-5-9-23(29-2)24(21)27/h5,8-9,18-20H,3-4,6-7,10-17H2,1-2H3
InChIKeyPBSBGVBCISFEHM-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.53
Rot. Bonds10

About [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone

[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone (PubChem CID 58967725) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
PubChem CID58967725
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
SMILESCCCCC1CCN(CCCn2cc(C(=O)C3CC3)c3cccc(OC)c32)CC1
InChIInChI=1S/C25H36N2O2/c1-3-4-7-19-12-16-26(17-13-19)14-6-15-27-18-22(25(28)20-10-11-20)21-8-5-9-23(29-2)24(21)27/h5,8-9,18-20H,3-4,6-7,10-17H2,1-2H3
InChIKeyPBSBGVBCISFEHM-UHFFFAOYSA-N
XLogP5.53
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[7-methoxy-1-[3-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indol-3-yl]methanone
CID 58968379
cyclopropyl-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]methanone
CID 159746093
1-[7-methoxy-1-[(2R)-2-methyl-5-[1-(2-phenoxyethyl)piperidin-4-yl]pentyl]indol-3-yl]ethanone
CID 143502489
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
2-(chloromethyl)but-1-ene;cyclopropyl-[7-hydroxy-1-[3-[4-[(3Z)-penta-1,3-dien-2-yl]oxypiperidin-1-yl]propyl]indol-3-yl]methanone
CID 143502826
1-[1-[3-[4-(2-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;oxalic acid
CID 161294384
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968192
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;[1-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]piperidin-4-yl]-phenylmethanone
CID 161223373
[1-[3-[4-(3-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 58968527
1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 162141201

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The IUPAC name of [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone (CID 58967725) is [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The canonical SMILES for [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone is CCCCC1CCN(CCCn2cc(C(=O)C3CC3)c3cccc(OC)c32)CC1.
What is the InChIKey of [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
The InChIKey is PBSBGVBCISFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-3-4-7-19-12-16-26(17-13-19)14-6-15-27-18-22(25(28)20-10-11-20)21-8-5-9-23(29-2)24(21)27/h5,8-9,18-20H,3-4,6-7,10-17H2,1-2H3.
What are the key properties of [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone?
[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone has a molecular weight of 396.58 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 58967725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).