2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one

C31H32N2O3 — CID 131685415

IUPAC2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O
InChIInChI=1S/C31H32N2O3/c34-29(24-12-14-28(15-13-24)36-27-8-2-1-3-9-27)32-18-16-31(17-19-32)20-25-6-4-5-7-26(25)22-33(30(31)35)21-23-10-11-23/h1-9,12-15,23H,10-11,16-22H2
InChIKeyYHPMJSQUCJYGNP-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.70
Rot. Bonds5

About 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one

2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one (PubChem CID 131685415) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
PubChem CID131685415
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O
InChIInChI=1S/C31H32N2O3/c34-29(24-12-14-28(15-13-24)36-27-8-2-1-3-9-27)32-18-16-31(17-19-32)20-25-6-4-5-7-26(25)22-33(30(31)35)21-23-10-11-23/h1-9,12-15,23H,10-11,16-22H2
InChIKeyYHPMJSQUCJYGNP-UHFFFAOYSA-N
XLogP5.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one with MolForge

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Related Compounds

2-[(4-methylphenyl)methyl]-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685744
1'-(2,4-dimethylbenzoyl)-2-[(4-methylphenyl)methyl]spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685438
8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449792
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 86275091
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
1'-(cyclohexanecarbonyl)-2-(pyridin-3-ylmethyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685769
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one (CID 131685415) is 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one is O=C(c1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O.
What is the InChIKey of 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
The InChIKey is YHPMJSQUCJYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c34-29(24-12-14-28(15-13-24)36-27-8-2-1-3-9-27)32-18-16-31(17-19-32)20-25-6-4-5-7-26(25)22-33(30(31)35)21-23-10-11-23/h1-9,12-15,23H,10-11,16-22H2.
What are the key properties of 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one has a molecular weight of 480.61 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one is sourced from PubChem (CID 131685415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).