N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide

C13H17N3O3 — CID 167834230

IUPACN-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cnccc2CO)CC1=O
InChIInChI=1S/C13H17N3O3/c1-16-5-3-9(6-12(16)18)13(19)15-11-7-14-4-2-10(11)8-17/h2,4,7,9,17H,3,5-6,8H2,1H3,(H,15,19)
InChIKeyCHQNAFYXSGHJDM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.38
Rot. Bonds3

About N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 167834230) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID167834230
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cnccc2CO)CC1=O
InChIInChI=1S/C13H17N3O3/c1-16-5-3-9(6-12(16)18)13(19)15-11-7-14-4-2-10(11)8-17/h2,4,7,9,17H,3,5-6,8H2,1H3,(H,15,19)
InChIKeyCHQNAFYXSGHJDM-UHFFFAOYSA-N
XLogP0.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167805385
1-methyl-2-oxo-N-(2-phenylmethoxy-3-pyridinyl)piperidine-4-carboxamide
CID 75461391
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
(4R)-N-(1-benzylimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 97313572
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
CID 162345670

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 167834230) is N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cnccc2CO)CC1=O.
What is the InChIKey of N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is CHQNAFYXSGHJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-5-3-9(6-12(16)18)13(19)15-11-7-14-4-2-10(11)8-17/h2,4,7,9,17H,3,5-6,8H2,1H3,(H,15,19).
What are the key properties of N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 167834230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).