3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H23ClN2O3 — CID 119453910

IUPAC3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-5-3-11(9-14(13)20-2)4-6-15(18)17-12-7-8-16-10-12;/h3,5,9,12,16H,4,6-8,10H2,1-2H3,(H,17,18);1H
InChIKeyHCUDEDKCJKCDLT-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.54
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119453910) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119453910
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-5-3-11(9-14(13)20-2)4-6-15(18)17-12-7-8-16-10-12;/h3,5,9,12,16H,4,6-8,10H2,1-2H3,(H,17,18);1H
InChIKeyHCUDEDKCJKCDLT-UHFFFAOYSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119453910) is 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is COc1ccc(CCC(=O)NC2CCNC2)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is HCUDEDKCJKCDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-13-5-3-11(9-14(13)20-2)4-6-15(18)17-12-7-8-16-10-12;/h3,5,9,12,16H,4,6-8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119453910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).