N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C19H26ClF3N2O — CID 119319367

IUPACN-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNCC1)N(Cc1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C19H25F3N2O.ClH/c20-19(21,22)17-8-4-1-5-15(17)13-24(16-6-2-3-7-16)18(25)14-9-11-23-12-10-14;/h1,4-5,8,14,16,23H,2-3,6-7,9-13H2;1H
InChIKeyNQIMLFARHLSHOK-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.40
Rot. Bonds4

About N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119319367) has the molecular formula C19H26ClF3N2O and a molecular weight of 390.88 g/mol. Its IUPAC name is N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119319367
Molecular FormulaC19H26ClF3N2O
Molecular Weight390.88 g/mol
Exact Mass390.17
IUPAC NameN-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNCC1)N(Cc1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C19H25F3N2O.ClH/c20-19(21,22)17-8-4-1-5-15(17)13-24(16-6-2-3-7-16)18(25)14-9-11-23-12-10-14;/h1,4-5,8,14,16,23H,2-3,6-7,9-13H2;1H
InChIKeyNQIMLFARHLSHOK-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581
N-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)acetamide
CID 2123034
2-(S)-Amino-4-benzylamino-1-piperidin-1-yl-butan-1-one
CID 9817010
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
N,1-dibenzylpiperidine-4-carboxamide
CID 25249190
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 44415898
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-phenylpiperidin-1-yl)butanamide
CID 44415903
(2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-cyclopropyl-4-{spiro[indene-1,4''-piperidine]-1''-yl}butanamide
CID 44415922
(2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-methyl-4-{spiro[indene-1,4''-piperidine]-1''-yl}butanamide
CID 44415939
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-{spiro[indene-1,4''-piperidine]-1''-yl}butanamide
CID 44416273
N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-phenylpiperidin-1-yl)cyclopentanecarboxamide
CID 44423281

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 119319367) is N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(C1CCNCC1)N(Cc1ccccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is NQIMLFARHLSHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O.ClH/c20-19(21,22)17-8-4-1-5-15(17)13-24(16-6-2-3-7-16)18(25)14-9-11-23-12-10-14;/h1,4-5,8,14,16,23H,2-3,6-7,9-13H2;1H.
What are the key properties of N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119319367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).