4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide

C26H33N3O6 — CID 58328187

IUPAC4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide
SMILESCOCCCC(=O)c1ccc(C)c(NC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1
InChIInChI=1S/C26H33N3O6/c1-18-7-8-19(23(30)6-5-15-33-2)16-22(18)27-26(32)29-13-11-28(12-14-29)25(31)21-10-9-20(34-3)17-24(21)35-4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,27,32)
InChIKeyKYXMOWZHYWCUNT-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.61
Rot. Bonds9

About 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide

4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide (PubChem CID 58328187) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide
PubChem CID58328187
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Name4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide
SMILESCOCCCC(=O)c1ccc(C)c(NC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1
InChIInChI=1S/C26H33N3O6/c1-18-7-8-19(23(30)6-5-15-33-2)16-22(18)27-26(32)29-13-11-28(12-14-29)25(31)21-10-9-20(34-3)17-24(21)35-4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,27,32)
InChIKeyKYXMOWZHYWCUNT-UHFFFAOYSA-N
XLogP3.61
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethoxybenzoyl)-N-[2-methyl-5-(3-methylbutanoyl)phenyl]piperazine-1-carboxamide
CID 58328134
N-(5-carbamoyl-2-methylphenyl)-4-(2,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 58328128
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105238
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 143670700
4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide
CID 55911236
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide (CID 58328187) is 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide is COCCCC(=O)c1ccc(C)c(NC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1.
What is the InChIKey of 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide?
The InChIKey is KYXMOWZHYWCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-18-7-8-19(23(30)6-5-15-33-2)16-22(18)27-26(32)29-13-11-28(12-14-29)25(31)21-10-9-20(34-3)17-24(21)35-4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,27,32).
What are the key properties of 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide?
4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzoyl)-N-[5-(4-methoxybutanoyl)-2-methylphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 58328187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).