2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

C25H34N2O3 — CID 45222340

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N(C)C2CCCN(CCCc3ccccc3)C2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-26(25(28)18-21-13-14-23(29-2)24(17-21)30-3)22-12-8-16-27(19-22)15-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-14,17,22H,7-8,11-12,15-16,18-19H2,1-3H3
InChIKeyJHUQQNTWLZEQLJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.80
Rot. Bonds9

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

2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide (PubChem CID 45222340) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
PubChem CID45222340
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N(C)C2CCCN(CCCc3ccccc3)C2)cc1OC
InChIInChI=1S/C25H34N2O3/c1-26(25(28)18-21-13-14-23(29-2)24(17-21)30-3)22-12-8-16-27(19-22)15-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-14,17,22H,7-8,11-12,15-16,18-19H2,1-3H3
InChIKeyJHUQQNTWLZEQLJ-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

3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
CID 45174860
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45238946

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide (CID 45222340) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide is COc1ccc(CC(=O)N(C)C2CCCN(CCCc3ccccc3)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The InChIKey is JHUQQNTWLZEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-26(25(28)18-21-13-14-23(29-2)24(17-21)30-3)22-12-8-16-27(19-22)15-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-14,17,22H,7-8,11-12,15-16,18-19H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide 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 2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 45222340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).