N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

C24H33N3O3 — CID 3696602

IUPACN-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c(C)c1
InChIInChI=1S/C24H33N3O3/c1-5-6-7-19-8-10-21(18(2)16-19)25-24(28)27-14-12-26(13-15-27)22-11-9-20(29-3)17-23(22)30-4/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,25,28)
InChIKeyCZHGZPFSRQAOSR-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.71
Rot. Bonds7

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

N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 3696602) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID3696602
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c(C)c1
InChIInChI=1S/C24H33N3O3/c1-5-6-7-19-8-10-21(18(2)16-19)25-24(28)27-14-12-26(13-15-27)22-11-9-20(29-3)17-23(22)30-4/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,25,28)
InChIKeyCZHGZPFSRQAOSR-UHFFFAOYSA-N
XLogP4.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
CID 23881732
N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113113082
N-(4-butyl-2-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carboxamide
CID 23964750
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3870864
methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 3696602) is N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CZHGZPFSRQAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-6-7-19-8-10-21(18(2)16-19)25-24(28)27-14-12-26(13-15-27)22-11-9-20(29-3)17-23(22)30-4/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,25,28).
What are the key properties of N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide?
N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3696602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).