N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide

C16H24N4O2 — CID 18086306

IUPACN-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C16H24N4O2/c1-12-6-4-5-7-14(12)20-10-8-19(9-11-20)13(2)15(21)18-16(22)17-3/h4-7,13H,8-11H2,1-3H3,(H2,17,18,21,22)
InChIKeyNPNOUMLDGARUNS-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.96
Rot. Bonds3

About N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide

N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 18086306) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
PubChem CID18086306
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C16H24N4O2/c1-12-6-4-5-7-14(12)20-10-8-19(9-11-20)13(2)15(21)18-16(22)17-3/h4-7,13H,8-11H2,1-3H3,(H2,17,18,21,22)
InChIKeyNPNOUMLDGARUNS-UHFFFAOYSA-N
XLogP0.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 3066930
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 46800721
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92987492
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide (CID 18086306) is N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide is CNC(=O)NC(=O)C(C)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is NPNOUMLDGARUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-6-4-5-7-14(12)20-10-8-19(9-11-20)13(2)15(21)18-16(22)17-3/h4-7,13H,8-11H2,1-3H3,(H2,17,18,21,22).
What are the key properties of N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 304.39 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18086306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).