N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide

C32H35F6N3O2 — CID 87607267

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide (PubChem CID 87607267) has the molecular formula C32H35F6N3O2 and a molecular weight of 607.64 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 87607267
• Molecular Formula: C32H35F6N3O2
• Molecular Weight: 607.64 g/mol
• Exact Mass: 607.26
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide
• SMILES: O=C1CN(C2CC2)C=C2CC(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C3(CC4CC4)CCNCC3)=CC=C12
• InChI: InChI=1S/C32H35F6N3O2/c33-31(34,35)24-12-22(13-25(14-24)32(36,37)38)17-41(29(43)30(15-20-1-2-20)7-9-39-10-8-30)16-21-3-6-27-23(11-21)18-40(19-28(27)42)26-4-5-26/h3,6,12-14,18,20,26,39H,1-2,4-5,7-11,15-17,19H2
• InChIKey: YSVQZHSVTMPNCK-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.64
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide (CID 87607267) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide is O=C1CN(C2CC2)C=C2CC(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C3(CC4CC4)CCNCC3)=CC=C12.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide?

The InChIKey is YSVQZHSVTMPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F6N3O2/c33-31(34,35)24-12-22(13-25(14-24)32(36,37)38)17-41(29(43)30(15-20-1-2-20)7-9-39-10-8-30)16-21-3-6-27-23(11-21)18-40(19-28(27)42)26-4-5-26/h3,6,12-14,18,20,26,39H,1-2,4-5,7-11,15-17,19H2.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide has a molecular weight of 607.64 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(2-cyclopropyl-4-oxo-3,8-dihydroisoquinolin-7-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87607267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).