N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide

C23H30N2O2 — CID 125176783

IUPACN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
SMILESCOCCN1CCC[C@@H](CNC(=O)c2cccc(-c3ccc(C)cc3)c2)C1
InChIInChI=1S/C23H30N2O2/c1-18-8-10-20(11-9-18)21-6-3-7-22(15-21)23(26)24-16-19-5-4-12-25(17-19)13-14-27-2/h3,6-11,15,19H,4-5,12-14,16-17H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyPIRIPXWWCREUKO-IBGZPJMESA-N
MW366.51 g/mol
LogP3.75
Rot. Bonds7

About N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide

N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide (PubChem CID 125176783) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
PubChem CID125176783
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
SMILESCOCCN1CCC[C@@H](CNC(=O)c2cccc(-c3ccc(C)cc3)c2)C1
InChIInChI=1S/C23H30N2O2/c1-18-8-10-20(11-9-18)21-6-3-7-22(15-21)23(26)24-16-19-5-4-12-25(17-19)13-14-27-2/h3,6-11,15,19H,4-5,12-14,16-17H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyPIRIPXWWCREUKO-IBGZPJMESA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 126442048
3-(3-fluoro-4-hydroxyphenyl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]benzamide
CID 119070143
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 122559398
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 50982203
3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 124842945
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide (CID 125176783) is N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide is COCCN1CCC[C@@H](CNC(=O)c2cccc(-c3ccc(C)cc3)c2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide?
The InChIKey is PIRIPXWWCREUKO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-8-10-20(11-9-18)21-6-3-7-22(15-21)23(26)24-16-19-5-4-12-25(17-19)13-14-27-2/h3,6-11,15,19H,4-5,12-14,16-17H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide?
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide has a molecular weight of 366.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide is sourced from PubChem (CID 125176783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).