(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide

C18H27N3O — CID 9460029

IUPAC(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C18H27N3O/c1-5-9-19-18(22)16(4)20-10-12-21(13-11-20)17-8-6-7-14(2)15(17)3/h5-8,16H,1,9-13H2,2-4H3,(H,19,22)/t16-/m1/s1
InChIKeyYCDAKAYJRBJZNQ-MRXNPFEDSA-N
MW301.43 g/mol
LogP2.12
Rot. Bonds5

About (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide

(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 9460029) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
PubChem CID9460029
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C18H27N3O/c1-5-9-19-18(22)16(4)20-10-12-21(13-11-20)17-8-6-7-14(2)15(17)3/h5-8,16H,1,9-13H2,2-4H3,(H,19,22)/t16-/m1/s1
InChIKeyYCDAKAYJRBJZNQ-MRXNPFEDSA-N
XLogP2.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
(2S)-2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 37388293
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582689
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide (CID 9460029) is (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is YCDAKAYJRBJZNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-5-9-19-18(22)16(4)20-10-12-21(13-11-20)17-8-6-7-14(2)15(17)3/h5-8,16H,1,9-13H2,2-4H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 9460029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).