4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide

C17H27N3O — CID 113104047

IUPAC4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)12-18-17(21)20-10-8-19(9-11-20)13-16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyXBWNOQZDVZBSIO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.48
Rot. Bonds4

About 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide

4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113104047) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113104047
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)12-18-17(21)20-10-8-19(9-11-20)13-16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyXBWNOQZDVZBSIO-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19297267
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107101
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide (CID 113104047) is 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is XBWNOQZDVZBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)12-18-17(21)20-10-8-19(9-11-20)13-16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,18,21).
What are the key properties of 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).