1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone

C22H31N3O2 — CID 47538961

IUPAC1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2[nH]cc(C3CCN(CC(=O)N4CCCCCC4)CC3)c2c1
InChIInChI=1S/C22H31N3O2/c1-27-18-6-7-21-19(14-18)20(15-23-21)17-8-12-24(13-9-17)16-22(26)25-10-4-2-3-5-11-25/h6-7,14-15,17,23H,2-5,8-13,16H2,1H3
InChIKeyNQQQAZKSLOWJCM-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.76
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 47538961) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID47538961
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2[nH]cc(C3CCN(CC(=O)N4CCCCCC4)CC3)c2c1
InChIInChI=1S/C22H31N3O2/c1-27-18-6-7-21-19(14-18)20(15-23-21)17-8-12-24(13-9-17)16-22(26)25-10-4-2-3-5-11-25/h6-7,14-15,17,23H,2-5,8-13,16H2,1H3
InChIKeyNQQQAZKSLOWJCM-UHFFFAOYSA-N
XLogP3.76
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 29137086
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 47538961) is 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone is COc1ccc2[nH]cc(C3CCN(CC(=O)N4CCCCCC4)CC3)c2c1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is NQQQAZKSLOWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-27-18-6-7-21-19(14-18)20(15-23-21)17-8-12-24(13-9-17)16-22(26)25-10-4-2-3-5-11-25/h6-7,14-15,17,23H,2-5,8-13,16H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 369.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 47538961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).