1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

C22H22F2N4O — CID 162644837

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H22F2N4O/c23-19-8-3-15(12-20(19)24)13-28-11-1-2-17(14-28)22(29)26-18-6-4-16(5-7-18)21-9-10-25-27-21/h3-10,12,17H,1-2,11,13-14H2,(H,25,27)(H,26,29)
InChIKeyUPEQIQIBDAAKBX-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.21
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 162644837) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID162644837
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H22F2N4O/c23-19-8-3-15(12-20(19)24)13-28-11-1-2-17(14-28)22(29)26-18-6-4-16(5-7-18)21-9-10-25-27-21/h3-10,12,17H,1-2,11,13-14H2,(H,25,27)(H,26,29)
InChIKeyUPEQIQIBDAAKBX-UHFFFAOYSA-N
XLogP4.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
1-[[4-(dimethylamino)phenyl]methyl]-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 10838397
1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 22933424
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N,N-diethyl-2-[4-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055750
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426
6-[4-[(1-Acetyl-4-piperidyl)methyl]-1H-pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305398
(rac)-6-[4-[1-(1-Acetylpiperidin-4-yl)ethyl]-1H-pyrazol-3-yl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305412

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 162644837) is 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is UPEQIQIBDAAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c23-19-8-3-15(12-20(19)24)13-28-11-1-2-17(14-28)22(29)26-18-6-4-16(5-7-18)21-9-10-25-27-21/h3-10,12,17H,1-2,11,13-14H2,(H,25,27)(H,26,29).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 162644837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).