(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide

C16H25N3O2S — CID 96522618

IUPAC(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)s1
InChIInChI=1S/C16H25N3O2S/c1-11(8-14-6-5-12(2)22-14)18-16(21)19-7-3-4-13(10-19)9-15(17)20/h5-6,11,13H,3-4,7-10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1
InChIKeyRDIGCVZOKDHUTA-YPMHNXCESA-N
MW323.46 g/mol
LogP2.28
Rot. Bonds5

About (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide

(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 96522618) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID96522618
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)s1
InChIInChI=1S/C16H25N3O2S/c1-11(8-14-6-5-12(2)22-14)18-16(21)19-7-3-4-13(10-19)9-15(17)20/h5-6,11,13H,3-4,7-10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1
InChIKeyRDIGCVZOKDHUTA-YPMHNXCESA-N
XLogP2.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
CID 97025766
3-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 97007462
3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
CID 86768543
(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
CID 95774049
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 97025955
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119796717

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide (CID 96522618) is (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide is Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)s1.
What is the InChIKey of (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is RDIGCVZOKDHUTA-YPMHNXCESA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(8-14-6-5-12(2)22-14)18-16(21)19-7-3-4-13(10-19)9-15(17)20/h5-6,11,13H,3-4,7-10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1.
What are the key properties of (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 96522618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).