4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide

C24H32N4O4 — CID 55911236

IUPAC4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCCCN(C)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C24H32N4O4/c1-26(19-8-5-4-6-9-19)13-7-12-25-24(30)28-16-14-27(15-17-28)23(29)21-11-10-20(31-2)18-22(21)32-3/h4-6,8-11,18H,7,12-17H2,1-3H3,(H,25,30)
InChIKeyUGRHOJLAPKOJTG-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.70
Rot. Bonds8

About 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide

4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide (PubChem CID 55911236) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide
PubChem CID55911236
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCCCN(C)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C24H32N4O4/c1-26(19-8-5-4-6-9-19)13-7-12-25-24(30)28-16-14-27(15-17-28)23(29)21-11-10-20(31-2)18-22(21)32-3/h4-6,8-11,18H,7,12-17H2,1-3H3,(H,25,30)
InChIKeyUGRHOJLAPKOJTG-UHFFFAOYSA-N
XLogP2.70
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
(E)-3-(2,4-dimethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315728
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812594
N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 55903055
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide (CID 55911236) is 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)NCCCN(C)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide?
The InChIKey is UGRHOJLAPKOJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-26(19-8-5-4-6-9-19)13-7-12-25-24(30)28-16-14-27(15-17-28)23(29)21-11-10-20(31-2)18-22(21)32-3/h4-6,8-11,18H,7,12-17H2,1-3H3,(H,25,30).
What are the key properties of 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide?
4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 55911236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).