1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C17H26N2OS — CID 110667085

IUPAC1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C17H26N2OS/c20-17(14-16-6-5-13-21-16)19-11-7-15(8-12-19)18-9-3-1-2-4-10-18/h5-6,13,15H,1-4,7-12,14H2
InChIKeyOMZDTPHHOUYXSI-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.16
Rot. Bonds3

About 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110667085) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110667085
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C17H26N2OS/c20-17(14-16-6-5-13-21-16)19-11-7-15(8-12-19)18-9-3-1-2-4-10-18/h5-6,13,15H,1-4,7-12,14H2
InChIKeyOMZDTPHHOUYXSI-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42458414
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 110667085) is 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is OMZDTPHHOUYXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c20-17(14-16-6-5-13-21-16)19-11-7-15(8-12-19)18-9-3-1-2-4-10-18/h5-6,13,15H,1-4,7-12,14H2.
What are the key properties of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 306.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110667085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).