azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone

C17H26N2OS — CID 3242035

IUPACazepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2cccs2)C1)N1CCCCCC1
InChIInChI=1S/C17H26N2OS/c20-17(19-10-3-1-2-4-11-19)15-7-5-9-18(13-15)14-16-8-6-12-21-16/h6,8,12,15H,1-5,7,9-11,13-14H2
InChIKeyGOYOCCTUHHVZNJ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.36
Rot. Bonds3

About azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone

azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 3242035) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID3242035
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Nameazepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2cccs2)C1)N1CCCCCC1
InChIInChI=1S/C17H26N2OS/c20-17(19-10-3-1-2-4-11-19)15-7-5-9-18(13-15)14-16-8-6-12-21-16/h6,8,12,15H,1-5,7,9-11,13-14H2
InChIKeyGOYOCCTUHHVZNJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-{[1-(Thien-2-ylmethyl)piperidin-3-yl]carbonyl}azepane
CID 3242034
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
Cambridge id 6579821
CID 30137476
N-cycloheptyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42890509
3-N-methyl-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 45797441
3-N-(2-methoxyethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 51074453
(1-benzylpiperidin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 53519464
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493714
N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 118745033
1-(2-methoxyethyl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72866635

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone (CID 3242035) is azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(Cc2cccs2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is GOYOCCTUHHVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c20-17(19-10-3-1-2-4-11-19)15-7-5-9-18(13-15)14-16-8-6-12-21-16/h6,8,12,15H,1-5,7,9-11,13-14H2.
What are the key properties of azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone?
azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 306.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 3242035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).