[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone

C16H24N2OS — CID 83997879

IUPAC[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C16H24N2OS/c19-16(15-8-4-10-20-15)18-9-3-7-14(12-18)17-11-13-5-1-2-6-13/h4,8,10,13-14,17H,1-3,5-7,9,11-12H2
InChIKeyKBNDLCGYBGSDGK-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.13
Rot. Bonds4

About [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone

[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 83997879) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID83997879
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C16H24N2OS/c19-16(15-8-4-10-20-15)18-9-3-7-14(12-18)17-11-13-5-1-2-6-13/h4,8,10,13-14,17H,1-3,5-7,9,11-12H2
InChIKeyKBNDLCGYBGSDGK-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
CID 95401258
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 83997186
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone (CID 83997879) is [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(NCC2CCCC2)C1.
What is the InChIKey of [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KBNDLCGYBGSDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(15-8-4-10-20-15)18-9-3-7-14(12-18)17-11-13-5-1-2-6-13/h4,8,10,13-14,17H,1-3,5-7,9,11-12H2.
What are the key properties of [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone?
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 292.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 83997879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).