N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide

C21H27N3O3S — CID 38063702

IUPACN-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide
SMILESCc1csc(=O)n1CCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-16-15-28-21(27)24(16)11-5-8-19(25)23-12-9-18(10-13-23)20(26)22-14-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14H2,1H3,(H,22,26)
InChIKeyBKGOQCVZUCRPSS-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.55
Rot. Bonds7

About N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide

N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide (PubChem CID 38063702) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide
PubChem CID38063702
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide
SMILESCc1csc(=O)n1CCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-16-15-28-21(27)24(16)11-5-8-19(25)23-12-9-18(10-13-23)20(26)22-14-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14H2,1H3,(H,22,26)
InChIKeyBKGOQCVZUCRPSS-UHFFFAOYSA-N
XLogP2.55
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
CID 135104743
3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 66291430
N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
CID 24516071
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364092
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide (CID 38063702) is N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide is Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide?
The InChIKey is BKGOQCVZUCRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-15-28-21(27)24(16)11-5-8-19(25)23-12-9-18(10-13-23)20(26)22-14-17-6-3-2-4-7-17/h2-4,6-7,15,18H,5,8-14H2,1H3,(H,22,26).
What are the key properties of N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide?
N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 38063702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).