2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide

C15H20ClN3O2 — CID 110750504

IUPAC2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c1-11(15(17)21)18-5-7-19(8-6-18)14(20)10-12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3,(H2,17,21)
InChIKeyFBYRPFPGAFMOBL-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.90
Rot. Bonds4

About 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide

2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 110750504) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID110750504
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O2/c1-11(15(17)21)18-5-7-19(8-6-18)14(20)10-12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3,(H2,17,21)
InChIKeyFBYRPFPGAFMOBL-UHFFFAOYSA-N
XLogP0.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 110750502
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858
2-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86891190
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide (CID 110750504) is 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is FBYRPFPGAFMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11(15(17)21)18-5-7-19(8-6-18)14(20)10-12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3,(H2,17,21).
What are the key properties of 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide?
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 309.80 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 110750504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).