N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H23N3O2 — CID 110910842

IUPACN-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc(CO)c3)CC2)nc1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-18(20-12-14)22-9-7-16(8-10-22)19(24)21-17-4-2-3-15(11-17)13-23/h2-6,11-12,16,23H,7-10,13H2,1H3,(H,21,24)
InChIKeyQBQWRMJCQVGHEC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.74
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 110910842) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID110910842
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc(CO)c3)CC2)nc1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-18(20-12-14)22-9-7-16(8-10-22)19(24)21-17-4-2-3-15(11-17)13-23/h2-6,11-12,16,23H,7-10,13H2,1H3,(H,21,24)
InChIKeyQBQWRMJCQVGHEC-UHFFFAOYSA-N
XLogP2.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
ethyl 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]benzoate
CID 9228267
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375111
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 46432232
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 110910842) is N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3cccc(CO)c3)CC2)nc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is QBQWRMJCQVGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-6-18(20-12-14)22-9-7-16(8-10-22)19(24)21-17-4-2-3-15(11-17)13-23/h2-6,11-12,16,23H,7-10,13H2,1H3,(H,21,24).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 110910842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).