N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide

C19H21N3O2 — CID 110820250

IUPACN-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C19H21N3O2/c1-14-4-2-3-5-17(14)19(24)22-12-8-16(9-13-22)21-18(23)15-6-10-20-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,21,23)
InChIKeyLQQKCFXGZZHCRC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 110820250) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID110820250
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C19H21N3O2/c1-14-4-2-3-5-17(14)19(24)22-12-8-16(9-13-22)21-18(23)15-6-10-20-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,21,23)
InChIKeyLQQKCFXGZZHCRC-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 47067173
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide (CID 110820250) is N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is LQQKCFXGZZHCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-4-2-3-5-17(14)19(24)22-12-8-16(9-13-22)21-18(23)15-6-10-20-11-7-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 110820250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).