1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide

C30H38F4N2O — CID 142115723

IUPAC1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide
SMILESCc1ccc(C2CCN(C3CCC(C)(C4CC4)C3)CC2)cc1.O=CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H31N.C9H7F4NO/c1-16-3-5-17(6-4-16)18-10-13-22(14-11-18)20-9-12-21(2,15-20)19-7-8-19;10-8-2-6(4-14-5-15)1-7(3-8)9(11,12)13/h3-6,18-20H,7-15H2,1-2H3;1-3,5H,4H2,(H,14,15)
InChIKeySFHBKVOGNHZQIV-UHFFFAOYSA-N
MW518.64 g/mol
LogP7.23
Rot. Bonds6

About 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide

1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 142115723) has the molecular formula C30H38F4N2O and a molecular weight of 518.64 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide
PubChem CID142115723
Molecular FormulaC30H38F4N2O
Molecular Weight518.64 g/mol
Exact Mass518.29
IUPAC Name1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide
SMILESCc1ccc(C2CCN(C3CCC(C)(C4CC4)C3)CC2)cc1.O=CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H31N.C9H7F4NO/c1-16-3-5-17(6-4-16)18-10-13-22(14-11-18)20-9-12-21(2,15-20)19-7-8-19;10-8-2-6(4-14-5-15)1-7(3-8)9(11,12)13/h3-6,18-20H,7-15H2,1-2H3;1-3,5H,4H2,(H,14,15)
InChIKeySFHBKVOGNHZQIV-UHFFFAOYSA-N
XLogP7.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,3R)-1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 44425652
1-(cyclopropylmethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 44425648
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(4-fluorophenyl)piperidin-1-yl)-1-isopropylcyclopentanecarboxamide
CID 44447766
N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(3-fluorophenyl)piperidin-1-yl)-1-isopropylcyclopentanecarboxamide
CID 44447775
1-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 10141101
1-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 10142069
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-methylpropyl)-3-(4-phenylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 10187643
1-cyclopropyl-3-(4-phenylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 10205450
1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide
CID 10229428
(1R,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylprop-2-enyl)cyclopentane-1-carboxamide
CID 10229781
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]cyclopentane-1-carboxamide
CID 10231183
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 10231682

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide?
The IUPAC name of 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide (CID 142115723) is 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide.
What is the SMILES notation for 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide?
The canonical SMILES for 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide is Cc1ccc(C2CCN(C3CCC(C)(C4CC4)C3)CC2)cc1.O=CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide?
The InChIKey is SFHBKVOGNHZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N.C9H7F4NO/c1-16-3-5-17(6-4-16)18-10-13-22(14-11-18)20-9-12-21(2,15-20)19-7-8-19;10-8-2-6(4-14-5-15)1-7(3-8)9(11,12)13/h3-6,18-20H,7-15H2,1-2H3;1-3,5H,4H2,(H,14,15).
What are the key properties of 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide?
1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 518.64 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-methylcyclopentyl)-4-(4-methylphenyl)piperidine;N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 142115723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).