4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide

C17H27N3O — CID 113104075

IUPAC4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCc1ccc(N2CCN(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-15-5-7-16(8-6-15)19-9-11-20(12-10-19)17(21)18-13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyBVQSSSOICDZWAB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds4

About 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide

4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113104075) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113104075
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCc1ccc(N2CCN(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-15-5-7-16(8-6-15)19-9-11-20(12-10-19)17(21)18-13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyBVQSSSOICDZWAB-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
N-(3-methylbutyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113110708
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
1-[4-(4-ethylphenyl)-1,4-diazepan-1-yl]ethanone
CID 70827633
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
methyl 2-[[4-(4-ethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113112107

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide (CID 113104075) is 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide is CCc1ccc(N2CCN(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is BVQSSSOICDZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-15-5-7-16(8-6-15)19-9-11-20(12-10-19)17(21)18-13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).