3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

C25H34N2O3 — CID 45199254

IUPAC3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)N(C)C2CCCN(CCc3ccccc3)C2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-26(25(28)14-12-21-11-13-23(29-2)24(18-21)30-3)22-10-7-16-27(19-22)17-15-20-8-5-4-6-9-20/h4-6,8-9,11,13,18,22H,7,10,12,14-17,19H2,1-3H3
InChIKeySLLDGWIEDGBANQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.80
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (PubChem CID 45199254) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
PubChem CID45199254
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)N(C)C2CCCN(CCc3ccccc3)C2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-26(25(28)14-12-21-11-13-23(29-2)24(18-21)30-3)22-10-7-16-27(19-22)17-15-20-8-5-4-6-9-20/h4-6,8-9,11,13,18,22H,7,10,12,14-17,19H2,1-3H3
InChIKeySLLDGWIEDGBANQ-UHFFFAOYSA-N
XLogP3.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
CID 45174860
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
CID 51635760
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (CID 45199254) is 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is COc1ccc(CCC(=O)N(C)C2CCCN(CCc3ccccc3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The InChIKey is SLLDGWIEDGBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-26(25(28)14-12-21-11-13-23(29-2)24(18-21)30-3)22-10-7-16-27(19-22)17-15-20-8-5-4-6-9-20/h4-6,8-9,11,13,18,22H,7,10,12,14-17,19H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide has a molecular weight of 410.56 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45199254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).