N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

C18H21N3O2 — CID 1446435

IUPACN-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C18H21N3O2/c22-17(20-13-15-5-2-1-3-6-15)21-11-8-18(23,9-12-21)16-7-4-10-19-14-16/h1-7,10,14,23H,8-9,11-13H2,(H,20,22)
InChIKeyPQVBJCBOFVIUSL-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.27
Rot. Bonds3

About N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 1446435) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID1446435
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C18H21N3O2/c22-17(20-13-15-5-2-1-3-6-15)21-11-8-18(23,9-12-21)16-7-4-10-19-14-16/h1-7,10,14,23H,8-9,11-13H2,(H,20,22)
InChIKeyPQVBJCBOFVIUSL-UHFFFAOYSA-N
XLogP2.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72877334
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
4-benzylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 27516632

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (CID 1446435) is N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is PQVBJCBOFVIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(20-13-15-5-2-1-3-6-15)21-11-8-18(23,9-12-21)16-7-4-10-19-14-16/h1-7,10,14,23H,8-9,11-13H2,(H,20,22).
What are the key properties of N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 1446435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).