4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

C15H23ClN2O — CID 119453431

IUPAC4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(CCCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-14-9-10-16-11-14;/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18);1H
InChIKeyHGWGWQZRGHESEF-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.22
Rot. Bonds5

About 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119453431) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119453431
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(CCCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-14-9-10-16-11-14;/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18);1H
InChIKeyHGWGWQZRGHESEF-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
4-(5-methylthiophen-2-yl)-N-pyrrolidin-3-ylbutanamide
CID 119453783
4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453666
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119453431) is 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is Cc1ccc(CCCC(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is HGWGWQZRGHESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-14-9-10-16-11-14;/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18);1H.
What are the key properties of 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119453431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).