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

C11H18N4O — CID 93431387

IUPAC(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H18N4O/c1-8-9(7-14-15-8)6-13-11(16)10-4-2-3-5-12-10/h7,10,12H,2-6H2,1H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyAAYAOMJIOSHWQP-JTQLQIEISA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds3

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

(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 93431387) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID93431387
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H18N4O/c1-8-9(7-14-15-8)6-13-11(16)10-4-2-3-5-12-10/h7,10,12H,2-6H2,1H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyAAYAOMJIOSHWQP-JTQLQIEISA-N
XLogP0.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61021789
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471787
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104619250
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide (CID 93431387) is (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide is Cc1[nH]ncc1CNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is AAYAOMJIOSHWQP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(7-14-15-8)6-13-11(16)10-4-2-3-5-12-10/h7,10,12H,2-6H2,1H3,(H,13,16)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide?
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 93431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).