N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

C24H29F3N4O — CID 45249951

IUPACN-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NC(c3ccccn3)C(F)(F)F)CC2)cc1)C1CCCC1
InChIInChI=1S/C24H29F3N4O/c25-24(26,27)22(21-7-3-4-14-28-21)29-19-12-15-31(16-13-19)20-10-8-18(9-11-20)30-23(32)17-5-1-2-6-17/h3-4,7-11,14,17,19,22,29H,1-2,5-6,12-13,15-16H2,(H,30,32)
InChIKeyYGACAGCCHMZLDW-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 45249951) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID45249951
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC NameN-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NC(c3ccccn3)C(F)(F)F)CC2)cc1)C1CCCC1
InChIInChI=1S/C24H29F3N4O/c25-24(26,27)22(21-7-3-4-14-28-21)29-19-12-15-31(16-13-19)20-10-8-18(9-11-20)30-23(32)17-5-1-2-6-17/h3-4,7-11,14,17,19,22,29H,1-2,5-6,12-13,15-16H2,(H,30,32)
InChIKeyYGACAGCCHMZLDW-UHFFFAOYSA-N
XLogP5.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45203516
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 28666705
N-[4-[4-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45233500
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
CID 42663766
1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 43343781

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (CID 45249951) is N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCC(NC(c3ccccn3)C(F)(F)F)CC2)cc1)C1CCCC1.
What is the InChIKey of N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is YGACAGCCHMZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c25-24(26,27)22(21-7-3-4-14-28-21)29-19-12-15-31(16-13-19)20-10-8-18(9-11-20)30-23(32)17-5-1-2-6-17/h3-4,7-11,14,17,19,22,29H,1-2,5-6,12-13,15-16H2,(H,30,32).
What are the key properties of N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 446.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 45249951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).