4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C25H27N3O4 — CID 3338318

IUPAC4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c(OC)c1
InChIInChI=1S/C25H27N3O4/c1-30-22-12-13-23(24(18-22)31-2)27-14-16-28(17-15-27)25(29)26-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-13,18H,14-17H2,1-2H3,(H,26,29)
InChIKeyOJBKEHQOYWCBSD-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.85
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 3338318) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID3338318
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c(OC)c1
InChIInChI=1S/C25H27N3O4/c1-30-22-12-13-23(24(18-22)31-2)27-14-16-28(17-15-27)25(29)26-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-13,18H,14-17H2,1-2H3,(H,26,29)
InChIKeyOJBKEHQOYWCBSD-UHFFFAOYSA-N
XLogP4.85
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
4-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3857682
methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-(2,4-dimethoxyphenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3770339
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113113082
methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 3338318) is 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is OJBKEHQOYWCBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-30-22-12-13-23(24(18-22)31-2)27-14-16-28(17-15-27)25(29)26-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-13,18H,14-17H2,1-2H3,(H,26,29).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3338318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).