N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

C22H25ClN4O — CID 55432712

IUPACN-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H25ClN4O/c1-17(22(28)25-15-20-4-2-3-5-21(20)23)27-12-10-26(11-13-27)16-19-8-6-18(14-24)7-9-19/h2-9,17H,10-13,15-16H2,1H3,(H,25,28)
InChIKeyVBVWMMFFGSKWMX-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.03
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55432712) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55432712
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H25ClN4O/c1-17(22(28)25-15-20-4-2-3-5-21(20)23)27-12-10-26(11-13-27)16-19-8-6-18(14-24)7-9-19/h2-9,17H,10-13,15-16H2,1H3,(H,25,28)
InChIKeyVBVWMMFFGSKWMX-UHFFFAOYSA-N
XLogP3.03
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55355629
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 46631275
4-[[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 27755112
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide
CID 9399043
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 9399060
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507244
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide (CID 55432712) is N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide is CC(C(=O)NCc1ccccc1Cl)N1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is VBVWMMFFGSKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-17(22(28)25-15-20-4-2-3-5-21(20)23)27-12-10-26(11-13-27)16-19-8-6-18(14-24)7-9-19/h2-9,17H,10-13,15-16H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 396.92 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).