N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide

C24H32N2O2 — CID 17012220

IUPACN-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)c1
InChIInChI=1S/C24H32N2O2/c1-3-16-28-22-9-7-8-21(17-22)24(27)25-18-23(26-14-5-4-6-15-26)20-12-10-19(2)11-13-20/h7-13,17,23H,3-6,14-16,18H2,1-2H3,(H,25,27)
InChIKeyATMCRAZULUMUDK-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.74
Rot. Bonds8

About N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide

N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide (PubChem CID 17012220) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
PubChem CID17012220
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)c1
InChIInChI=1S/C24H32N2O2/c1-3-16-28-22-9-7-8-21(17-22)24(27)25-18-23(26-14-5-4-6-15-26)20-12-10-19(2)11-13-20/h7-13,17,23H,3-6,14-16,18H2,1-2H3,(H,25,27)
InChIKeyATMCRAZULUMUDK-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide (CID 17012220) is N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)c1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide?
The InChIKey is ATMCRAZULUMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-16-28-22-9-7-8-21(17-22)24(27)25-18-23(26-14-5-4-6-15-26)20-12-10-19(2)11-13-20/h7-13,17,23H,3-6,14-16,18H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide?
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide has a molecular weight of 380.53 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide is sourced from PubChem (CID 17012220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).