N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide

C25H31F3N4O2 — CID 66760951

IUPACN-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
SMILESN#CC1CCN(C(=O)N2CC(NC(=O)C3CCCC3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C25H31F3N4O2/c26-25(27,28)21-7-5-18(6-8-21)20-13-22(30-23(33)19-3-1-2-4-19)16-32(15-20)24(34)31-11-9-17(14-29)10-12-31/h5-8,17,19-20,22H,1-4,9-13,15-16H2,(H,30,33)
InChIKeyHVVUGRVDSBLVCK-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.53
Rot. Bonds3

About N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide

N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide (PubChem CID 66760951) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
PubChem CID66760951
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC NameN-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
SMILESN#CC1CCN(C(=O)N2CC(NC(=O)C3CCCC3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C25H31F3N4O2/c26-25(27,28)21-7-5-18(6-8-21)20-13-22(30-23(33)19-3-1-2-4-19)16-32(15-20)24(34)31-11-9-17(14-29)10-12-31/h5-8,17,19-20,22H,1-4,9-13,15-16H2,(H,30,33)
InChIKeyHVVUGRVDSBLVCK-UHFFFAOYSA-N
XLogP4.53
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 57946306
N-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide
CID 46931416
1-tert-Butyl-3-[1-(cyclopentylcarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea
CID 66761545
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471948
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-(1-propanoylpiperidin-4-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471957
(1R,3S,4S)-N-[(1S)-2-[4-(1-acetylpiperidin-4-yl)phenyl]-1-cyanoethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471958
(1R,3S,4S)-N-[(1S)-2-[4-(1-butanoylpiperidin-4-yl)phenyl]-1-cyanoethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471959
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-[1-(ethylcarbamoyl)piperidin-4-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471960
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89471962
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89472130
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89669187
(1R,3S,4S)-N-[(1S)-1-cyano-2-[4-(1-ethylpiperidin-4-yl)-2-fluorophenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 90430343

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide (CID 66760951) is N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide is N#CC1CCN(C(=O)N2CC(NC(=O)C3CCCC3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is HVVUGRVDSBLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c26-25(27,28)21-7-5-18(6-8-21)20-13-22(30-23(33)19-3-1-2-4-19)16-32(15-20)24(34)31-11-9-17(14-29)10-12-31/h5-8,17,19-20,22H,1-4,9-13,15-16H2,(H,30,33).
What are the key properties of N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide?
N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanopiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 66760951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).