N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide

C22H29F3N2O2 — CID 47088076

IUPACN-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1
InChIInChI=1S/C22H29F3N2O2/c1-2-12-26-19(28)16-7-6-13-27(15-16)20(29)21(10-3-4-11-21)17-8-5-9-18(14-17)22(23,24)25/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3,(H,26,28)
InChIKeyNCMWCOCANUWCHG-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.28
Rot. Bonds5

About N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide

N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide (PubChem CID 47088076) has the molecular formula C22H29F3N2O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
PubChem CID47088076
Molecular FormulaC22H29F3N2O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1
InChIInChI=1S/C22H29F3N2O2/c1-2-12-26-19(28)16-7-6-13-27(15-16)20(29)21(10-3-4-11-21)17-8-5-9-18(14-17)22(23,24)25/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3,(H,26,28)
InChIKeyNCMWCOCANUWCHG-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
[3-(1-aminoethyl)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119596794
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
CID 55345276
(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99814639
(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 119480049
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide (CID 47088076) is N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1.
What is the InChIKey of N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide?
The InChIKey is NCMWCOCANUWCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O2/c1-2-12-26-19(28)16-7-6-13-27(15-16)20(29)21(10-3-4-11-21)17-8-5-9-18(14-17)22(23,24)25/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3,(H,26,28).
What are the key properties of N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide?
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 47088076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).