N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide

C15H20ClN3O2 — CID 43328757

IUPACN-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C15H20ClN3O2/c1-11(16)14(20)17-15(21)19-9-8-18(2)10-13(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,20,21)
InChIKeyXOCFHHNSBNHFFD-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.84
Rot. Bonds2

About N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide

N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide (PubChem CID 43328757) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
PubChem CID43328757
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C15H20ClN3O2/c1-11(16)14(20)17-15(21)19-9-8-18(2)10-13(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,20,21)
InChIKeyXOCFHHNSBNHFFD-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide (CID 43328757) is N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide is CC(Cl)C(=O)NC(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is XOCFHHNSBNHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11(16)14(20)17-15(21)19-9-8-18(2)10-13(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,20,21).
What are the key properties of N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide?
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 43328757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).