2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide

C24H30N4O — CID 112811721

IUPAC2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)N1CCN(C(C#N)c2ccccc2)CC1
InChIInChI=1S/C24H30N4O/c1-18-9-7-8-12-22(18)19(2)26-24(29)20(3)27-13-15-28(16-14-27)23(17-25)21-10-5-4-6-11-21/h4-12,19-20,23H,13-16H2,1-3H3,(H,26,29)
InChIKeyPDCGTTKWZPAZRD-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide

2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 112811721) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID112811721
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)N1CCN(C(C#N)c2ccccc2)CC1
InChIInChI=1S/C24H30N4O/c1-18-9-7-8-12-22(18)19(2)26-24(29)20(3)27-13-15-28(16-14-27)23(17-25)21-10-5-4-6-11-21/h4-12,19-20,23H,13-16H2,1-3H3,(H,26,29)
InChIKeyPDCGTTKWZPAZRD-UHFFFAOYSA-N
XLogP3.44
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-(2,3-dichlorophenyl)propanamide
CID 112799391
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86923486
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-2-phenylacetonitrile
CID 112799371
N-[1-(2-methylphenyl)ethyl]-2-(4-pentylsulfonylpiperazin-1-yl)propanamide
CID 86936900
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86879409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide (CID 112811721) is 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1C(C)NC(=O)C(C)N1CCN(C(C#N)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is PDCGTTKWZPAZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-9-7-8-12-22(18)19(2)26-24(29)20(3)27-13-15-28(16-14-27)23(17-25)21-10-5-4-6-11-21/h4-12,19-20,23H,13-16H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 112811721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).