(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

C17H22N4O — CID 95266842

IUPAC(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C17H22N4O/c1-14-4-2-10-20(12-14)17(22)19-16-7-5-15(6-8-16)13-21-11-3-9-18-21/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyRZRQXMOWFGDEIO-CQSZACIVSA-N
MW298.39 g/mol
LogP3.20
Rot. Bonds3

About (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (PubChem CID 95266842) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
PubChem CID95266842
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C17H22N4O/c1-14-4-2-10-20(12-14)17(22)19-16-7-5-15(6-8-16)13-21-11-3-9-18-21/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyRZRQXMOWFGDEIO-CQSZACIVSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 86871510
4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 60591485
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 110883852
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (CID 95266842) is (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is RZRQXMOWFGDEIO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-4-2-10-20(12-14)17(22)19-16-7-5-15(6-8-16)13-21-11-3-9-18-21/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 95266842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).