4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide

C14H19ClN4O2 — CID 96536495

IUPAC4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESC[C@H](C(N)=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN4O2/c1-10(13(16)20)18-6-8-19(9-7-18)14(21)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H2,16,20)(H,17,21)/t10-/m1/s1
InChIKeyVTSUTDICGSTYRH-SNVBAGLBSA-N
MW310.79 g/mol
LogP1.36
Rot. Bonds3

About 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide

4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide (PubChem CID 96536495) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
PubChem CID96536495
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESC[C@H](C(N)=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN4O2/c1-10(13(16)20)18-6-8-19(9-7-18)14(21)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H2,16,20)(H,17,21)/t10-/m1/s1
InChIKeyVTSUTDICGSTYRH-SNVBAGLBSA-N
XLogP1.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)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-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536494
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(2-chlorophenyl)propanamide
CID 47068779
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide (CID 96536495) is 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide is C[C@H](C(N)=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is VTSUTDICGSTYRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-10(13(16)20)18-6-8-19(9-7-18)14(21)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H2,16,20)(H,17,21)/t10-/m1/s1.
What are the key properties of 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 96536495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).