3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide

C18H27N3O2S — CID 75375930

IUPAC3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCCN(C(=O)NCC2(c3cccs3)CCCC2)C1
InChIInChI=1S/C18H27N3O2S/c19-16(22)11-14-5-3-9-21(12-14)17(23)20-13-18(7-1-2-8-18)15-6-4-10-24-15/h4,6,10,14H,1-3,5,7-9,11-13H2,(H2,19,22)(H,20,23)
InChIKeyQUQBYORXEUDTHH-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.86
Rot. Bonds5

About 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide (PubChem CID 75375930) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide
PubChem CID75375930
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCCN(C(=O)NCC2(c3cccs3)CCCC2)C1
InChIInChI=1S/C18H27N3O2S/c19-16(22)11-14-5-3-9-21(12-14)17(23)20-13-18(7-1-2-8-18)15-6-4-10-24-15/h4,6,10,14H,1-3,5,7-9,11-13H2,(H2,19,22)(H,20,23)
InChIKeyQUQBYORXEUDTHH-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
Rac-4-propyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414888
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750
1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexan-2-one
CID 44561212
N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 46943863
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 47046097
3-(1-methylpiperidin-2-yl)-N-[2-(3-methyl-2-thienyl)ethyl]propanamide
CID 50976292
1-[1-(4-Thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one
CID 56816289
8-(2-methoxyethyl)-9-oxo-N-[2-(2-thienyl)ethyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 70787317
4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 71867985
Methyl 1-[(2-methyl-3-thiophen-2-ylpropyl)carbamoyl]piperidine-4-carboxylate
CID 71867988

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide (CID 75375930) is 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide is NC(=O)CC1CCCN(C(=O)NCC2(c3cccs3)CCCC2)C1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide?
The InChIKey is QUQBYORXEUDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c19-16(22)11-14-5-3-9-21(12-14)17(23)20-13-18(7-1-2-8-18)15-6-4-10-24-15/h4,6,10,14H,1-3,5,7-9,11-13H2,(H2,19,22)(H,20,23).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 75375930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).