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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Related Compounds

2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 75865061
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
CID 47041629
(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001
(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 129376778
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734

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).