N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide

C30H34N4O4 — CID 42673175

IUPACN-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C30H34N4O4/c1-4-28(35)31-24-12-15-27(26(20-24)30(37)32(2)21-22-8-6-5-7-9-22)33-16-18-34(19-17-33)29(36)23-10-13-25(38-3)14-11-23/h5-15,20H,4,16-19,21H2,1-3H3,(H,31,35)
InChIKeyFRLFALUEGXTZCP-UHFFFAOYSA-N
MW514.63 g/mol
LogP4.28
Rot. Bonds8

About N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide

N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide (PubChem CID 42673175) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide
PubChem CID42673175
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C30H34N4O4/c1-4-28(35)31-24-12-15-27(26(20-24)30(37)32(2)21-22-8-6-5-7-9-22)33-16-18-34(19-17-33)29(36)23-10-13-25(38-3)14-11-23/h5-15,20H,4,16-19,21H2,1-3H3,(H,31,35)
InChIKeyFRLFALUEGXTZCP-UHFFFAOYSA-N
XLogP4.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(methyl)carbamoyl]-4-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide
CID 42675329
5-benzamido-N-benzyl-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methylbenzamide
CID 42673473
4-[4-amino-2-[benzyl(methyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 42671694
N-[3-[benzyl(methyl)carbamoyl]-4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42822176
5-acetamido-N,N-diethyl-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]benzamide
CID 42675192
N-benzyl-5-[(2-methoxyacetyl)amino]-N-methyl-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide
CID 42675395
4-[2-[benzyl(methyl)carbamoyl]-4-[(4-methylbenzoyl)amino]phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 83283626
5-benzamido-N-benzyl-N-methyl-2-[4-[(2R)-2-phenylbutanoyl]-1,4-diazepan-1-yl]benzamide
CID 98337892
5-acetamido-N-benzyl-N-methyl-2-[4-[(2S)-2-phenylbutanoyl]-1,4-diazepan-1-yl]benzamide
CID 93142319
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid
CID 46362995
N-[3-[benzyl(methyl)carbamoyl]-4-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 98232532
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide?
The IUPAC name of N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide (CID 42673175) is N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide.
What is the SMILES notation for N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide?
The canonical SMILES for N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide is CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide?
The InChIKey is FRLFALUEGXTZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-4-28(35)31-24-12-15-27(26(20-24)30(37)32(2)21-22-8-6-5-7-9-22)33-16-18-34(19-17-33)29(36)23-10-13-25(38-3)14-11-23/h5-15,20H,4,16-19,21H2,1-3H3,(H,31,35).
What are the key properties of N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide?
N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide has a molecular weight of 514.63 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-5-(propanoylamino)benzamide is sourced from PubChem (CID 42673175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).