N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide

C24H32N2O2 — CID 140931186

IUPACN-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
SMILESCCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-26(24(27)22-11-5-4-6-12-22)19-21-10-8-15-25(18-21)16-14-20-9-7-13-23(17-20)28-2/h4-7,9,11-13,17,21H,3,8,10,14-16,18-19H2,1-2H3
InChIKeyXANWJTQHXKVKOI-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.11
Rot. Bonds8

About N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide

N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide (PubChem CID 140931186) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
PubChem CID140931186
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
SMILESCCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-26(24(27)22-11-5-4-6-12-22)19-21-10-8-15-25(18-21)16-14-20-9-7-13-23(17-20)28-2/h4-7,9,11-13,17,21H,3,8,10,14-16,18-19H2,1-2H3
InChIKeyXANWJTQHXKVKOI-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416
N-ethyl-3-ethynyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 25456627
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-benzoxazole-2-carboxamide
CID 140931220
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide (CID 140931186) is N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide is CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is XANWJTQHXKVKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-26(24(27)22-11-5-4-6-12-22)19-21-10-8-15-25(18-21)16-14-20-9-7-13-23(17-20)28-2/h4-7,9,11-13,17,21H,3,8,10,14-16,18-19H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 380.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 140931186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).