N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide

C19H22ClN3O — CID 112984512

IUPACN-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-2-19(24)21-16-6-8-17(9-7-16)22-10-12-23(13-11-22)18-5-3-4-15(20)14-18/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyWGLOTENVFALTMP-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.02
Rot. Bonds4

About N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 112984512) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
PubChem CID112984512
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H22ClN3O/c1-2-19(24)21-16-6-8-17(9-7-16)22-10-12-23(13-11-22)18-5-3-4-15(20)14-18/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyWGLOTENVFALTMP-UHFFFAOYSA-N
XLogP4.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
tert-butyl N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamate
CID 112984524
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 56761744
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52682345
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide (CID 112984512) is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is WGLOTENVFALTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-2-19(24)21-16-6-8-17(9-7-16)22-10-12-23(13-11-22)18-5-3-4-15(20)14-18/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide?
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 343.86 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 112984512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).