3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide

C25H34N2O3 — CID 26412386

IUPAC3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CN1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1
InChIInChI=1S/C25H34N2O3/c1-3-30-24-12-5-4-10-22(24)19-27-15-7-9-20(18-27)13-14-25(28)26-17-21-8-6-11-23(16-21)29-2/h4-6,8,10-12,16,20H,3,7,9,13-15,17-19H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyDXQVHKXSVBDLDS-HXUWFJFHSA-N
MW410.56 g/mol
LogP4.40
Rot. Bonds10

About 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide

3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 26412386) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID26412386
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CN1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1
InChIInChI=1S/C25H34N2O3/c1-3-30-24-12-5-4-10-22(24)19-27-15-7-9-20(18-27)13-14-25(28)26-17-21-8-6-11-23(16-21)29-2/h4-6,8,10-12,16,20H,3,7,9,13-15,17-19H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyDXQVHKXSVBDLDS-HXUWFJFHSA-N
XLogP4.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 42511683
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
CID 45218347
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 45211190
N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45221235
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45214011
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26326111

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 26412386) is 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide is CCOc1ccccc1CN1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1.
What is the InChIKey of 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is DXQVHKXSVBDLDS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-3-30-24-12-5-4-10-22(24)19-27-15-7-9-20(18-27)13-14-25(28)26-17-21-8-6-11-23(16-21)29-2/h4-6,8,10-12,16,20H,3,7,9,13-15,17-19H2,1-2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 26412386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).