3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide

C17H26N2O3 — CID 119464205

IUPAC3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCCNC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-21-15-7-5-13(10-16(15)22-2)6-8-17(20)19-12-14-4-3-9-18-11-14/h5,7,10,14,18H,3-4,6,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyARBCFIDZBBSBMR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.75
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119464205) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119464205
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCCNC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-21-15-7-5-13(10-16(15)22-2)6-8-17(20)19-12-14-4-3-9-18-11-14/h5,7,10,14,18H,3-4,6,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyARBCFIDZBBSBMR-UHFFFAOYSA-N
XLogP1.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 22257935
3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462202
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
CID 119460070

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide (CID 119464205) is 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide is COc1ccc(CCC(=O)NCC2CCCNC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is ARBCFIDZBBSBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-15-7-5-13(10-16(15)22-2)6-8-17(20)19-12-14-4-3-9-18-11-14/h5,7,10,14,18H,3-4,6,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.75, 7 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-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119464205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).