N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide

C21H25N3O3 — CID 125440109

IUPACN-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cc(C)c(C)[nH]c3=O)cc2)C1
InChIInChI=1S/C21H25N3O3/c1-13-11-19(20(26)22-14(13)2)16-6-8-17(9-7-16)21(27)24-10-4-5-18(12-24)23-15(3)25/h6-9,11,18H,4-5,10,12H2,1-3H3,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyNBXOATDIALKQAK-GOSISDBHSA-N
MW367.45 g/mol
LogP2.40
Rot. Bonds3

About N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide

N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide (PubChem CID 125440109) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
PubChem CID125440109
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cc(C)c(C)[nH]c3=O)cc2)C1
InChIInChI=1S/C21H25N3O3/c1-13-11-19(20(26)22-14(13)2)16-6-8-17(9-7-16)21(27)24-10-4-5-18(12-24)23-15(3)25/h6-9,11,18H,4-5,10,12H2,1-3H3,(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyNBXOATDIALKQAK-GOSISDBHSA-N
XLogP2.40
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440110
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
CID 122559227
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 68593380
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide (CID 125440109) is N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cc(C)c(C)[nH]c3=O)cc2)C1.
What is the InChIKey of N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide?
The InChIKey is NBXOATDIALKQAK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-11-19(20(26)22-14(13)2)16-6-8-17(9-7-16)21(27)24-10-4-5-18(12-24)23-15(3)25/h6-9,11,18H,4-5,10,12H2,1-3H3,(H,22,26)(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 125440109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).