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

C20H22FN5O — CID 167889685

IUPAC1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESN#Cc1cc(F)ccc1N1CCC(C(=O)NCc2cn[nH]c2C2CC2)CC1
InChIInChI=1S/C20H22FN5O/c21-17-3-4-18(15(9-17)10-22)26-7-5-14(6-8-26)20(27)23-11-16-12-24-25-19(16)13-1-2-13/h3-4,9,12-14H,1-2,5-8,11H2,(H,23,27)(H,24,25)
InChIKeyVCRXHBGNAKAZAM-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.83
Rot. Bonds5

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

1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 167889685) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID167889685
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESN#Cc1cc(F)ccc1N1CCC(C(=O)NCc2cn[nH]c2C2CC2)CC1
InChIInChI=1S/C20H22FN5O/c21-17-3-4-18(15(9-17)10-22)26-7-5-14(6-8-26)20(27)23-11-16-12-24-25-19(16)13-1-2-13/h3-4,9,12-14H,1-2,5-8,11H2,(H,23,27)(H,24,25)
InChIKeyVCRXHBGNAKAZAM-UHFFFAOYSA-N
XLogP2.83
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
1-(2-cyano-4-fluorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 167954173
1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
CID 167954599
1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
CID 133373440
1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 71891778
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 133318639
N-[(2-chloro-4-cyanophenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 171622010
5-fluoro-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 63668522
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
N-benzyl-1-(4-cyano-2-nitrophenyl)piperidine-4-carboxamide
CID 27818192

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 167889685) is 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is N#Cc1cc(F)ccc1N1CCC(C(=O)NCc2cn[nH]c2C2CC2)CC1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VCRXHBGNAKAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-17-3-4-18(15(9-17)10-22)26-7-5-14(6-8-26)20(27)23-11-16-12-24-25-19(16)13-1-2-13/h3-4,9,12-14H,1-2,5-8,11H2,(H,23,27)(H,24,25).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-N-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167889685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).