N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide

C30H37BrClN3O2 — CID 59999020

About N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide

N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide (PubChem CID 59999020) has the molecular formula C30H37BrClN3O2 and a molecular weight of 587.00 g/mol. Its IUPAC name is N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide
• PubChem CID: 59999020
• Molecular Formula: C30H37BrClN3O2
• Molecular Weight: 587.00 g/mol
• Exact Mass: 585.18
• IUPAC Name: N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide
• SMILES: O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1Cl)C1CCCC1
• InChI: InChI=1S/C30H37BrClN3O2/c31-24-11-9-22(10-12-24)21-35-20-16-30(29(35)37)14-18-34(19-15-30)17-13-27(25-7-3-4-8-26(25)32)33-28(36)23-5-1-2-6-23/h3-4,7-12,23,27H,1-2,5-6,13-21H2,(H,33,36)
• InChIKey: DHVVMCGYDDUJLE-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.00
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide?

The IUPAC name of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide (CID 59999020) is N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide?

The canonical SMILES for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide is O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1Cl)C1CCCC1.

What is the InChIKey of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide?

The InChIKey is DHVVMCGYDDUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37BrClN3O2/c31-24-11-9-22(10-12-24)21-35-20-16-30(29(35)37)14-18-34(19-15-30)17-13-27(25-7-3-4-8-26(25)32)33-28(36)23-5-1-2-6-23/h3-4,7-12,23,27H,1-2,5-6,13-21H2,(H,33,36).

What are the key properties of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide?

N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide has a molecular weight of 587.00 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 59999020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).