4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide

C29H33N3O4 — CID 31990895

IUPAC4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H33N3O4/c1-35-26-14-13-24(21-27(26)36-2)28(33)31-17-19-32(20-18-31)29(34)30-16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,21,25H,15-20H2,1-2H3,(H,30,34)
InChIKeySMPHOSCMWKOICN-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.39
Rot. Bonds8

About 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide

4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide (PubChem CID 31990895) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
PubChem CID31990895
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C29H33N3O4/c1-35-26-14-13-24(21-27(26)36-2)28(33)31-17-19-32(20-18-31)29(34)30-16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,21,25H,15-20H2,1-2H3,(H,30,34)
InChIKeySMPHOSCMWKOICN-UHFFFAOYSA-N
XLogP4.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 55545946
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55543892
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide (CID 31990895) is 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide?
The InChIKey is SMPHOSCMWKOICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-35-26-14-13-24(21-27(26)36-2)28(33)31-17-19-32(20-18-31)29(34)30-16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,21,25H,15-20H2,1-2H3,(H,30,34).
What are the key properties of 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide?
4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 31990895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).