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

C15H23ClN2O2 — CID 119449629

IUPAC4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(CCCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-19-14-7-5-12(6-8-14)3-2-4-15(18)17-13-9-10-16-11-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H
InChIKeyCWEYCXVSHOMXQD-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.92
Rot. Bonds6

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

4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119449629) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119449629
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(CCCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-19-14-7-5-12(6-8-14)3-2-4-15(18)17-13-9-10-16-11-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H
InChIKeyCWEYCXVSHOMXQD-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119476012
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119449629) is 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is COc1ccc(CCCC(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is CWEYCXVSHOMXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-19-14-7-5-12(6-8-14)3-2-4-15(18)17-13-9-10-16-11-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H.
What are the key properties of 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119449629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).