(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C15H24N4O2S — CID 97025955

IUPAC(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H](CC(N)=O)C1)c1nc(C)cs1
InChIInChI=1S/C15H24N4O2S/c1-3-12(14-17-10(2)9-22-14)18-15(21)19-6-4-5-11(8-19)7-13(16)20/h9,11-12H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t11-,12+/m0/s1
InChIKeyYFJIMWBPDXQSLC-NWDGAFQWSA-N
MW324.45 g/mol
LogP2.20
Rot. Bonds5

About (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 97025955) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID97025955
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H](CC(N)=O)C1)c1nc(C)cs1
InChIInChI=1S/C15H24N4O2S/c1-3-12(14-17-10(2)9-22-14)18-15(21)19-6-4-5-11(8-19)7-13(16)20/h9,11-12H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t11-,12+/m0/s1
InChIKeyYFJIMWBPDXQSLC-NWDGAFQWSA-N
XLogP2.20
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
CID 97025766
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110012374
(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
(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-(2-amino-2-oxoethyl)-N-[1-(2,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 75423837

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 97025955) is (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CC[C@@H](NC(=O)N1CCC[C@@H](CC(N)=O)C1)c1nc(C)cs1.
What is the InChIKey of (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is YFJIMWBPDXQSLC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-12(14-17-10(2)9-22-14)18-15(21)19-6-4-5-11(8-19)7-13(16)20/h9,11-12H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t11-,12+/m0/s1.
What are the key properties of (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 97025955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).