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

C21H26ClN3O — CID 100590839

IUPAC3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H26ClN3O/c1-24-12-14-25(15-13-24)20-9-4-18(5-10-20)16-23-21(26)11-6-17-2-7-19(22)8-3-17/h2-5,7-10H,6,11-16H2,1H3,(H,23,26)
InChIKeyCQHBXEWBYZCRMU-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.34
Rot. Bonds6

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

3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (PubChem CID 100590839) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
PubChem CID100590839
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
SMILESCN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H26ClN3O/c1-24-12-14-25(15-13-24)20-9-4-18(5-10-20)16-23-21(26)11-6-17-2-7-19(22)8-3-17/h2-5,7-10H,6,11-16H2,1H3,(H,23,26)
InChIKeyCQHBXEWBYZCRMU-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35619171
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
3-(4-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]propanamide
CID 110615443
3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
CID 56762086
N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995846

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide (CID 100590839) is 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
The InChIKey is CQHBXEWBYZCRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-24-12-14-25(15-13-24)20-9-4-18(5-10-20)16-23-21(26)11-6-17-2-7-19(22)8-3-17/h2-5,7-10H,6,11-16H2,1H3,(H,23,26).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide?
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide has a molecular weight of 371.91 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 100590839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).