N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide

C27H33F3N2O — CID 158758791

IUPACN-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide
SMILESC[C@@H](CC1CC[C@H](c2ccc(C(=O)NC3CCNCC3)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H33F3N2O/c1-18(22-3-2-4-24(17-22)27(28,29)30)15-19-5-6-23(16-19)20-7-9-21(10-8-20)26(33)32-25-11-13-31-14-12-25/h2-4,7-10,17-19,23,25,31H,5-6,11-16H2,1H3,(H,32,33)/t18-,19?,23-/m0/s1
InChIKeyXMYUIMYCRUWWGS-SGCMCVRUSA-N
MW458.57 g/mol
LogP6.26
Rot. Bonds6

About N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide

N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide (PubChem CID 158758791) has the molecular formula C27H33F3N2O and a molecular weight of 458.57 g/mol. Its IUPAC name is N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide
PubChem CID158758791
Molecular FormulaC27H33F3N2O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC NameN-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide
SMILESC[C@@H](CC1CC[C@H](c2ccc(C(=O)NC3CCNCC3)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H33F3N2O/c1-18(22-3-2-4-24(17-22)27(28,29)30)15-19-5-6-23(16-19)20-7-9-21(10-8-20)26(33)32-25-11-13-31-14-12-25/h2-4,7-10,17-19,23,25,31H,5-6,11-16H2,1H3,(H,32,33)/t18-,19?,23-/m0/s1
InChIKeyXMYUIMYCRUWWGS-SGCMCVRUSA-N
XLogP6.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 162554246
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
(1S)-3-(4-methylsulfonylphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 90688734
2-amino-3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844674
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91509964
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119550376
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide?
The IUPAC name of N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide (CID 158758791) is N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide.
What is the SMILES notation for N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide?
The canonical SMILES for N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide is C[C@@H](CC1CC[C@H](c2ccc(C(=O)NC3CCNCC3)cc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide?
The InChIKey is XMYUIMYCRUWWGS-SGCMCVRUSA-N. The full InChI is InChI=1S/C27H33F3N2O/c1-18(22-3-2-4-24(17-22)27(28,29)30)15-19-5-6-23(16-19)20-7-9-21(10-8-20)26(33)32-25-11-13-31-14-12-25/h2-4,7-10,17-19,23,25,31H,5-6,11-16H2,1H3,(H,32,33)/t18-,19?,23-/m0/s1.
What are the key properties of N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide?
N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide has a molecular weight of 458.57 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-[(1S)-3-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]benzamide is sourced from PubChem (CID 158758791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).