N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

C24H32N2O2 — CID 1080766

IUPACN-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-2-20-8-10-22(11-9-20)18-25-14-12-23(13-15-25)24(28)26(16-17-27)19-21-6-4-3-5-7-21/h3-11,23,27H,2,12-19H2,1H3
InChIKeyUKPLJXROVLXNSO-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.48
Rot. Bonds8

About N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 1080766) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID1080766
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-2-20-8-10-22(11-9-20)18-25-14-12-23(13-15-25)24(28)26(16-17-27)19-21-6-4-3-5-7-21/h3-11,23,27H,2,12-19H2,1H3
InChIKeyUKPLJXROVLXNSO-UHFFFAOYSA-N
XLogP3.48
TPSA43.78 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 1080766) is N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is CCc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is UKPLJXROVLXNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-20-8-10-22(11-9-20)18-25-14-12-23(13-15-25)24(28)26(16-17-27)19-21-6-4-3-5-7-21/h3-11,23,27H,2,12-19H2,1H3.
What are the key properties of N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-ethylphenyl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1080766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).