N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide

C14H18ClN3O2 — CID 110746926

IUPACN-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1=O
InChIInChI=1S/C14H18ClN3O2/c1-10(2)18-7-6-17(9-13(18)19)14(20)16-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,20)
InChIKeyAQZHUHOOIQYIEA-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.42
Rot. Bonds2

About N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide

N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110746926) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID110746926
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1=O
InChIInChI=1S/C14H18ClN3O2/c1-10(2)18-7-6-17(9-13(18)19)14(20)16-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,20)
InChIKeyAQZHUHOOIQYIEA-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346261
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide (CID 110746926) is N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide is CC(C)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1=O.
What is the InChIKey of N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is AQZHUHOOIQYIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(2)18-7-6-17(9-13(18)19)14(20)16-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,20).
What are the key properties of N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-oxo-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110746926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).