(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide

C12H18F2N4O — CID 154799506

IUPAC(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCC(F)F)[C@@H]1CCCCN1Cc1ccn[nH]1
InChIInChI=1S/C12H18F2N4O/c13-11(14)7-15-12(19)10-3-1-2-6-18(10)8-9-4-5-16-17-9/h4-5,10-11H,1-3,6-8H2,(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyJCGISGKMOLQPHT-JTQLQIEISA-N
MW272.30 g/mol
LogP1.15
Rot. Bonds5

About (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide

(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide (PubChem CID 154799506) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
PubChem CID154799506
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCC(F)F)[C@@H]1CCCCN1Cc1ccn[nH]1
InChIInChI=1S/C12H18F2N4O/c13-11(14)7-15-12(19)10-3-1-2-6-18(10)8-9-4-5-16-17-9/h4-5,10-11H,1-3,6-8H2,(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyJCGISGKMOLQPHT-JTQLQIEISA-N
XLogP1.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 154774733
N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134797773
[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]methyl N-propylcarbamate
CID 126813449
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide
CID 138017230
(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 100681162
(8aR)-2-(1H-pyrazol-5-ylmethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99781573
1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide (CID 154799506) is (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide is O=C(NCC(F)F)[C@@H]1CCCCN1Cc1ccn[nH]1.
What is the InChIKey of (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide?
The InChIKey is JCGISGKMOLQPHT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18F2N4O/c13-11(14)7-15-12(19)10-3-1-2-6-18(10)8-9-4-5-16-17-9/h4-5,10-11H,1-3,6-8H2,(H,15,19)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide?
(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 154799506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).