4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide

C27H29N3O5 — CID 59689595

IUPAC4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C27H29N3O5/c1-33-22-12-10-21(11-13-22)28-27(32)29-15-16-30(23(18-29)19-7-5-4-6-8-19)26(31)20-9-14-24(34-2)25(17-20)35-3/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,32)
InChIKeyJVGCDNOUIATOJK-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.44
Rot. Bonds6

About 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide

4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide (PubChem CID 59689595) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
PubChem CID59689595
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C27H29N3O5/c1-33-22-12-10-21(11-13-22)28-27(32)29-15-16-30(23(18-29)19-7-5-4-6-8-19)26(31)20-9-14-24(34-2)25(17-20)35-3/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,32)
InChIKeyJVGCDNOUIATOJK-UHFFFAOYSA-N
XLogP4.44
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide
CID 59690683
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 127044821
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 155986617
(2R)-2-[[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92989998
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
tert-butyl 4-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-3-phenylpiperazine-1-carboxylate
CID 118900489
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide (CID 59689595) is 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
The InChIKey is JVGCDNOUIATOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-33-22-12-10-21(11-13-22)28-27(32)29-15-16-30(23(18-29)19-7-5-4-6-8-19)26(31)20-9-14-24(34-2)25(17-20)35-3/h4-14,17,23H,15-16,18H2,1-3H3,(H,28,32).
What are the key properties of 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide?
4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 59689595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).