4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide

C30H29N3O4 — CID 59690683

IUPAC4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2c2ccccc2)cc1OC
InChIInChI=1S/C30H29N3O4/c1-36-27-16-15-23(19-28(27)37-2)29(34)33-18-17-32(20-26(33)22-10-4-3-5-11-22)30(35)31-25-14-8-12-21-9-6-7-13-24(21)25/h3-16,19,26H,17-18,20H2,1-2H3,(H,31,35)
InChIKeyUUCGIPOIVXIIDL-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.59
Rot. Bonds5

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

4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide (PubChem CID 59690683) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide
PubChem CID59690683
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2c2ccccc2)cc1OC
InChIInChI=1S/C30H29N3O4/c1-36-27-16-15-23(19-28(27)37-2)29(34)33-18-17-32(20-26(33)22-10-4-3-5-11-22)30(35)31-25-14-8-12-21-9-6-7-13-24(21)25/h3-16,19,26H,17-18,20H2,1-2H3,(H,31,35)
InChIKeyUUCGIPOIVXIIDL-UHFFFAOYSA-N
XLogP5.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
CID 59689595
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
[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
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 5005350
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
ethane;3-methoxy-4-[[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]amino]benzoic acid
CID 91130310
3-methoxy-4-[[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]amino]benzoic acid;hydrochloride
CID 68910423

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide (CID 59690683) is 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2c2ccccc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide?
The InChIKey is UUCGIPOIVXIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-36-27-16-15-23(19-28(27)37-2)29(34)33-18-17-32(20-26(33)22-10-4-3-5-11-22)30(35)31-25-14-8-12-21-9-6-7-13-24(21)25/h3-16,19,26H,17-18,20H2,1-2H3,(H,31,35).
What are the key properties of 4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide?
4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 5.59, 5 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-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 59690683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).