N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide

C16H24N4O2 — CID 110190883

IUPACN-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1N1CCN(C(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C16H24N4O2/c1-11-5-4-6-12(2)14(11)20-9-7-19(8-10-20)13(3)15(21)18-16(17)22/h4-6,13H,7-10H2,1-3H3,(H3,17,18,21,22)
InChIKeyQPTVHKBHSYXUDY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.01
Rot. Bonds3

About N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide

N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 110190883) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID110190883
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1N1CCN(C(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C16H24N4O2/c1-11-5-4-6-12(2)14(11)20-9-7-19(8-10-20)13(3)15(21)18-16(17)22/h4-6,13H,7-10H2,1-3H3,(H3,17,18,21,22)
InChIKeyQPTVHKBHSYXUDY-UHFFFAOYSA-N
XLogP1.01
TPSA78.67 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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 42949633
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide (CID 110190883) is N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(C)c1N1CCN(C(C)C(=O)NC(N)=O)CC1.
What is the InChIKey of N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is QPTVHKBHSYXUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-5-4-6-12(2)14(11)20-9-7-19(8-10-20)13(3)15(21)18-16(17)22/h4-6,13H,7-10H2,1-3H3,(H3,17,18,21,22).
What are the key properties of N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide?
N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 110190883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).