2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

C12H20N4O — CID 106739536

IUPAC2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCNC(C)C1
InChIInChI=1S/C12H20N4O/c1-8-5-10(3-4-13-8)12(17)14-6-11-7-15-16-9(11)2/h7-8,10,13H,3-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDCXJRUMIWOJZRY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.72
Rot. Bonds3

About 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 106739536) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID106739536
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCNC(C)C1
InChIInChI=1S/C12H20N4O/c1-8-5-10(3-4-13-8)12(17)14-6-11-7-15-16-9(11)2/h7-8,10,13H,3-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDCXJRUMIWOJZRY-UHFFFAOYSA-N
XLogP0.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739794
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 106739536) is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCNC(C)C1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DCXJRUMIWOJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-10(3-4-13-8)12(17)14-6-11-7-15-16-9(11)2/h7-8,10,13H,3-6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 106739536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).