N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

C30H34ClF3N2O — CID 10186789

About N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (PubChem CID 10186789) has the molecular formula C30H34ClF3N2O and a molecular weight of 531.06 g/mol. Its IUPAC name is N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
• PubChem CID: 10186789
• Molecular Formula: C30H34ClF3N2O
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.23
• IUPAC Name: N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
• SMILES: CCC1(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CCC(N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1
• InChI: InChI=1S/C30H34ClF3N2O/c1-3-28(27(37)35-18-21-8-9-26(31)25(16-21)30(32,33)34)12-11-23(17-28)36-15-14-29(20(2)19-36)13-10-22-6-4-5-7-24(22)29/h4-10,13,16,20,23H,3,11-12,14-15,17-19H2,1-2H3,(H,35,37)/t20-,23?,28?,29-/m0/s1
• InChIKey: SRFTVRKAYINPOS-GNBPXODKSA-N
• XLogP: 7.23
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (CID 10186789) is N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The canonical SMILES for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is CCC1(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CCC(N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1.

What is the InChIKey of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The InChIKey is SRFTVRKAYINPOS-GNBPXODKSA-N. The full InChI is InChI=1S/C30H34ClF3N2O/c1-3-28(27(37)35-18-21-8-9-26(31)25(16-21)30(32,33)34)12-11-23(17-28)36-15-14-29(20(2)19-36)13-10-22-6-4-5-7-24(22)29/h4-10,13,16,20,23H,3,11-12,14-15,17-19H2,1-2H3,(H,35,37)/t20-,23?,28?,29-/m0/s1.

What are the key properties of N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide has a molecular weight of 531.06 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 10186789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).