N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide

C17H24ClN3O2 — CID 17027292

IUPACN-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-4-15(22)19-14-7-5-6-13(18)16(14)20-8-10-21(11-9-20)17(23)12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,22)
InChIKeyPXXJKHKUOURZNX-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.99
Rot. Bonds4

About N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide

N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 17027292) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
PubChem CID17027292
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-4-15(22)19-14-7-5-6-13(18)16(14)20-8-10-21(11-9-20)17(23)12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,22)
InChIKeyPXXJKHKUOURZNX-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17066177
5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17129047
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
4-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17129134
3-bromo-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 17128996
N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 17129140
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
CID 17177126
5-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 43913812

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide (CID 17027292) is N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide is CCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is PXXJKHKUOURZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-4-15(22)19-14-7-5-6-13(18)16(14)20-8-10-21(11-9-20)17(23)12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 17027292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).