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

C22H26ClN3O2 — CID 108743738

IUPAC4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
SMILESCN1CCN(Cc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-25-12-14-26(15-13-25)16-17-2-8-20(9-3-17)24-22(28)11-10-21(27)18-4-6-19(23)7-5-18/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyKLOYZJQFGJRZOG-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.69
Rot. Bonds7

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

4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide (PubChem CID 108743738) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
PubChem CID108743738
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
SMILESCN1CCN(Cc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-25-12-14-26(15-13-25)16-17-2-8-20(9-3-17)24-22(28)11-10-21(27)18-4-6-19(23)7-5-18/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyKLOYZJQFGJRZOG-UHFFFAOYSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
CID 163963196
CID 163963196
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 30668935
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide (CID 108743738) is 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide is CN1CCN(Cc2ccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide?
The InChIKey is KLOYZJQFGJRZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25-12-14-26(15-13-25)16-17-2-8-20(9-3-17)24-22(28)11-10-21(27)18-4-6-19(23)7-5-18/h2-9H,10-16H2,1H3,(H,24,28).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide has a molecular weight of 399.92 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide is sourced from PubChem (CID 108743738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).