3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide

C24H30ClN3O2 — CID 17162574

IUPAC3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide
SMILESCC(C)CC(=O)N1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-18(2)17-24(30)28-15-13-27(14-16-28)21-10-8-20(9-11-21)26-23(29)12-7-19-5-3-4-6-22(19)25/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,26,29)
InChIKeyFMIKGPBQUZKTTJ-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.61
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide

3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 17162574) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide
PubChem CID17162574
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide
SMILESCC(C)CC(=O)N1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-18(2)17-24(30)28-15-13-27(14-16-28)21-10-8-20(9-11-21)26-23(29)12-7-19-5-3-4-6-22(19)25/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,26,29)
InChIKeyFMIKGPBQUZKTTJ-UHFFFAOYSA-N
XLogP4.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.61
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-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 17335308
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
5-chloro-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17334641
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096
2-phenyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide
CID 3667014
4-[4-(3-aminobutanoylamino)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 70863115
2-chloro-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide
CID 17335284
2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1252414
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
CID 17400855
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide (CID 17162574) is 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide is CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CCc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is FMIKGPBQUZKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-18(2)17-24(30)28-15-13-27(14-16-28)21-10-8-20(9-11-21)26-23(29)12-7-19-5-3-4-6-22(19)25/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,26,29).
What are the key properties of 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide?
3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 427.98 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 17162574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).