N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide

C18H26ClN3O2 — CID 113115179

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(C)C
InChIInChI=1S/C18H26ClN3O2/c1-14(2)22(15(3)23)8-7-18(24)21-11-9-20(10-12-21)17-6-4-5-16(19)13-17/h4-6,13-14H,7-12H2,1-3H3
InChIKeyRNAMVUUGPUXORZ-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.64
Rot. Bonds5

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide (PubChem CID 113115179) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
PubChem CID113115179
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(C)C
InChIInChI=1S/C18H26ClN3O2/c1-14(2)22(15(3)23)8-7-18(24)21-11-9-20(10-12-21)17-6-4-5-16(19)13-17/h4-6,13-14H,7-12H2,1-3H3
InChIKeyRNAMVUUGPUXORZ-UHFFFAOYSA-N
XLogP2.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide 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-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115975
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166120
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
(3S)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 7317261
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 108503569

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide (CID 113115179) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide is CC(=O)N(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(C)C.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide?
The InChIKey is RNAMVUUGPUXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-14(2)22(15(3)23)8-7-18(24)21-11-9-20(10-12-21)17-6-4-5-16(19)13-17/h4-6,13-14H,7-12H2,1-3H3.
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide has a molecular weight of 351.88 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 113115179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).