N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide

C21H24N4O3 — CID 22981979

IUPACN-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cccnc2)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3/c1-22-20(28)21(24-19(27)17-8-5-11-23-15-17)9-12-25(13-10-21)18(26)14-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,28)(H,24,27)
InChIKeyFOXYLDGCZPLVIR-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.16
Rot. Bonds5

About N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide

N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 22981979) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID22981979
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cccnc2)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3/c1-22-20(28)21(24-19(27)17-8-5-11-23-15-17)9-12-25(13-10-21)18(26)14-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,28)(H,24,27)
InChIKeyFOXYLDGCZPLVIR-UHFFFAOYSA-N
XLogP1.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-4-(methylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 22981975
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805774
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
N-methylpyridine-3-carboxamide chloride
CID 20976730
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide (CID 22981979) is N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide is CNC(=O)C1(NC(=O)c2cccnc2)CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FOXYLDGCZPLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-22-20(28)21(24-19(27)17-8-5-11-23-15-17)9-12-25(13-10-21)18(26)14-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,28)(H,24,27).
What are the key properties of N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)-1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 22981979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).