N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide

C14H19ClN4O2 — CID 63595580

IUPACN-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCC1C(=O)NCCN1CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H19ClN4O2/c1-9-14(21)17-5-7-19(9)6-4-13(20)18-10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7,16H2,1H3,(H,17,21)(H,18,20)
InChIKeyVOPXPZLZQSIRFW-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.07
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide

N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide (PubChem CID 63595580) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide
PubChem CID63595580
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCC1C(=O)NCCN1CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H19ClN4O2/c1-9-14(21)17-5-7-19(9)6-4-13(20)18-10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7,16H2,1H3,(H,17,21)(H,18,20)
InChIKeyVOPXPZLZQSIRFW-UHFFFAOYSA-N
XLogP1.07
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
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N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide (CID 63595580) is N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide is CC1C(=O)NCCN1CCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide?
The InChIKey is VOPXPZLZQSIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-9-14(21)17-5-7-19(9)6-4-13(20)18-10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7,16H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide has a molecular weight of 310.79 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 63595580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).