4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide

C18H28N4O2 — CID 25479399

IUPAC4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C18H28N4O2/c1-4-9-19-17(23)15(3)20-18(24)22-12-10-21(11-13-22)16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChIKeyZNUPHCIRRKNXQR-OAHLLOKOSA-N
MW332.45 g/mol
LogP1.74
Rot. Bonds5

About 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide

4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 25479399) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID25479399
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C18H28N4O2/c1-4-9-19-17(23)15(3)20-18(24)22-12-10-21(11-13-22)16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChIKeyZNUPHCIRRKNXQR-OAHLLOKOSA-N
XLogP1.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]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

4-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 41355719
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62838032
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
formic acid;N-(4-hydroxy-3-methylbutyl)-4-(2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 154908638
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 3066930
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide (CID 25479399) is 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide is CCCNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is ZNUPHCIRRKNXQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-9-19-17(23)15(3)20-18(24)22-12-10-21(11-13-22)16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3,(H,19,23)(H,20,24)/t15-/m1/s1.
What are the key properties of 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide?
4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 25479399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).