N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C24H32N2O — CID 125063633

IUPACN-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-4-20-7-11-22(12-8-20)19(3)25-24(27)23-13-9-21(10-14-23)17-26-15-5-6-18(2)16-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)/t18-,19+/m0/s1
InChIKeyAIDUKOIYYZHCTM-RBUKOAKNSA-N
MW364.53 g/mol
LogP4.97
Rot. Bonds6

About N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 125063633) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID125063633
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-4-20-7-11-22(12-8-20)19(3)25-24(27)23-13-9-21(10-14-23)17-26-15-5-6-18(2)16-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)/t18-,19+/m0/s1
InChIKeyAIDUKOIYYZHCTM-RBUKOAKNSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46766736
N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 125063633) is N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is AIDUKOIYYZHCTM-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H32N2O/c1-4-20-7-11-22(12-8-20)19(3)25-24(27)23-13-9-21(10-14-23)17-26-15-5-6-18(2)16-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)/t18-,19+/m0/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 125063633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).