N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C17H19N5O — CID 126807058

IUPACN-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCCC2Cn2cccn2)c1
InChIInChI=1S/C17H19N5O/c18-12-14-5-3-6-15(11-14)20-17(23)22-10-2-1-7-16(22)13-21-9-4-8-19-21/h3-6,8-9,11,16H,1-2,7,10,13H2,(H,20,23)
InChIKeyCKSXSHVNQDFFLA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.84
Rot. Bonds3

About N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 126807058) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID126807058
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCCCC2Cn2cccn2)c1
InChIInChI=1S/C17H19N5O/c18-12-14-5-3-6-15(11-14)20-17(23)22-10-2-1-7-16(22)13-21-9-4-8-19-21/h3-6,8-9,11,16H,1-2,7,10,13H2,(H,20,23)
InChIKeyCKSXSHVNQDFFLA-UHFFFAOYSA-N
XLogP2.84
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-cyanophenyl)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 95629024
3-[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-yl]oxybenzonitrile
CID 95978231
2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 118775432
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 126807058) is N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCCCC2Cn2cccn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is CKSXSHVNQDFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-12-14-5-3-6-15(11-14)20-17(23)22-10-2-1-7-16(22)13-21-9-4-8-19-21/h3-6,8-9,11,16H,1-2,7,10,13H2,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126807058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).