1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

C32H37F4N3O — CID 59050031

About 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (PubChem CID 59050031) has the molecular formula C32H37F4N3O and a molecular weight of 555.66 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
• PubChem CID: 59050031
• Molecular Formula: C32H37F4N3O
• Molecular Weight: 555.66 g/mol
• Exact Mass: 555.29
• IUPAC Name: 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
• SMILES: C[C@H]1CN(C2CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3CN)C2)CC[C@@]12C=Cc1ccccc12
• InChI: InChI=1S/C32H37F4N3O/c1-20-19-39(11-10-30(20)8-6-22-4-2-3-5-27(22)30)26-7-9-31(16-26,28-14-23(28)17-37)29(40)38-18-21-12-24(32(34,35)36)15-25(33)13-21/h2-6,8,12-13,15,20,23,26,28H,7,9-11,14,16-19,37H2,1H3,(H,38,40)/t20-,23?,26?,28?,30-,31?/m0/s1
• InChIKey: XZMMZWCQFHGKII-ZRWPDZKTSA-N
• XLogP: 5.90
• TPSA: 58.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.66
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (CID 59050031) is 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is C[C@H]1CN(C2CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3CN)C2)CC[C@@]12C=Cc1ccccc12.

What is the InChIKey of 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

The InChIKey is XZMMZWCQFHGKII-ZRWPDZKTSA-N. The full InChI is InChI=1S/C32H37F4N3O/c1-20-19-39(11-10-30(20)8-6-22-4-2-3-5-27(22)30)26-7-9-31(16-26,28-14-23(28)17-37)29(40)38-18-21-12-24(32(34,35)36)15-25(33)13-21/h2-6,8,12-13,15,20,23,26,28H,7,9-11,14,16-19,37H2,1H3,(H,38,40)/t20-,23?,26?,28?,30-,31?/m0/s1.

What are the key properties of 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?

1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide has a molecular weight of 555.66 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 59050031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).