N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide

C22H31F3N2O — CID 42401637

IUPACN-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
SMILESCN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1
InChIInChI=1S/C22H31F3N2O/c1-26(21(28)19-8-2-3-9-19)15-18-7-5-12-27(16-18)13-11-17-6-4-10-20(14-17)22(23,24)25/h4,6,10,14,18-19H,2-3,5,7-9,11-13,15-16H2,1H3/t18-/m1/s1
InChIKeyFOAUJIYKAKWGPA-GOSISDBHSA-N
MW396.50 g/mol
LogP4.61
Rot. Bonds6

About N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide

N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide (PubChem CID 42401637) has the molecular formula C22H31F3N2O and a molecular weight of 396.50 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
PubChem CID42401637
Molecular FormulaC22H31F3N2O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC NameN-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
SMILESCN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1
InChIInChI=1S/C22H31F3N2O/c1-26(21(28)19-8-2-3-9-19)15-18-7-5-12-27(16-18)13-11-17-6-4-10-20(14-17)22(23,24)25/h4,6,10,14,18-19H,2-3,5,7-9,11-13,15-16H2,1H3/t18-/m1/s1
InChIKeyFOAUJIYKAKWGPA-GOSISDBHSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
2-[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]acetic acid
CID 97268510
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 26335690
2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 42593796
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
CID 97278455
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
2-chloro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 45194918
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
CID 45237912
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 42462311

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide (CID 42401637) is N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide is CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)C1CCCC1.
What is the InChIKey of N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide?
The InChIKey is FOAUJIYKAKWGPA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31F3N2O/c1-26(21(28)19-8-2-3-9-19)15-18-7-5-12-27(16-18)13-11-17-6-4-10-20(14-17)22(23,24)25/h4,6,10,14,18-19H,2-3,5,7-9,11-13,15-16H2,1H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide?
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide has a molecular weight of 396.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 42401637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).