N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide

C23H27FN2O3 — CID 45238009

IUPACN-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CCc1cccc(F)c1
InChIInChI=1S/C23H27FN2O3/c24-21-8-4-7-18(15-21)11-12-25-17-20(9-10-22(25)28)23(29)26(13-14-27)16-19-5-2-1-3-6-19/h1-8,15,20,27H,9-14,16-17H2
InChIKeyXLJYYYWUCLSELI-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.63
Rot. Bonds8

About N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide

N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45238009) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45238009
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC NameN-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CCc1cccc(F)c1
InChIInChI=1S/C23H27FN2O3/c24-21-8-4-7-18(15-21)11-12-25-17-20(9-10-22(25)28)23(29)26(13-14-27)16-19-5-2-1-3-6-19/h1-8,15,20,27H,9-14,16-17H2
InChIKeyXLJYYYWUCLSELI-UHFFFAOYSA-N
XLogP2.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2930928
1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793871
N-[2-(3-fluorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide
CID 24816629
N-(3-fluorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24816630
N-benzyl-1-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24817028
N-(3-cyclopentylpropyl)-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24817106
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (CID 45238009) is N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CCc1cccc(F)c1.
What is the InChIKey of N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is XLJYYYWUCLSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-21-8-4-7-18(15-21)11-12-25-17-20(9-10-22(25)28)23(29)26(13-14-27)16-19-5-2-1-3-6-19/h1-8,15,20,27H,9-14,16-17H2.
What are the key properties of N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45238009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).