2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C12H20N4O — CID 106739794

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2cnn(C)c2)CCN1
InChIInChI=1S/C12H20N4O/c1-9-5-11(3-4-13-9)12(17)14-6-10-7-15-16(2)8-10/h7-9,11,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyZLNNCCINIOYFJH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.42
Rot. Bonds3

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 106739794) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID106739794
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2cnn(C)c2)CCN1
InChIInChI=1S/C12H20N4O/c1-9-5-11(3-4-13-9)12(17)14-6-10-7-15-16(2)8-10/h7-9,11,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyZLNNCCINIOYFJH-UHFFFAOYSA-N
XLogP0.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 106739794) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CC1CC(C(=O)NCc2cnn(C)c2)CCN1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZLNNCCINIOYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-5-11(3-4-13-9)12(17)14-6-10-7-15-16(2)8-10/h7-9,11,13H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 106739794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).