N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

C17H24ClN3O2 — CID 18094405

IUPACN-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)17(23)21-10-8-20(9-11-21)13(3)16(22)19-15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)
InChIKeyWAOIUTUUGZPLOW-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.47
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 18094405) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID18094405
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)17(23)21-10-8-20(9-11-21)13(3)16(22)19-15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)
InChIKeyWAOIUTUUGZPLOW-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(2-chlorophenyl)propanamide
CID 47068779
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 18282245
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536495
4-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536494
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 18094405) is N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is CC(C)C(=O)N1CCN(C(C)C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is WAOIUTUUGZPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(2)17(23)21-10-8-20(9-11-21)13(3)16(22)19-15-7-5-4-6-14(15)18/h4-7,12-13H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18094405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).