N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide

C15H22N4O2S — CID 71916802

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(N3CCCCC3=O)CC2)s1
InChIInChI=1S/C15H22N4O2S/c1-11-10-16-14(22-11)17-15(21)18-8-5-12(6-9-18)19-7-3-2-4-13(19)20/h10,12H,2-9H2,1H3,(H,16,17,21)
InChIKeyQRYWAZRGCYZNQE-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.46
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide (PubChem CID 71916802) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
PubChem CID71916802
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(N3CCCCC3=O)CC2)s1
InChIInChI=1S/C15H22N4O2S/c1-11-10-16-14(22-11)17-15(21)18-8-5-12(6-9-18)19-7-3-2-4-13(19)20/h10,12H,2-9H2,1H3,(H,16,17,21)
InChIKeyQRYWAZRGCYZNQE-UHFFFAOYSA-N
XLogP2.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176809
(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 94192420
1-(4-Methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
CID 57883973
5-(4,4-difluoropiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 163404226
4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126899727
3-Methyl-1-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butan-1-one
CID 133522921

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide (CID 71916802) is N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(N3CCCCC3=O)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide?
The InChIKey is QRYWAZRGCYZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-10-16-14(22-11)17-15(21)18-8-5-12(6-9-18)19-7-3-2-4-13(19)20/h10,12H,2-9H2,1H3,(H,16,17,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71916802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).