(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

C18H26N2O4 — CID 97150658

IUPAC(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)N(CCO)Cc2ccccc2)CCC1=O
InChIInChI=1S/C18H26N2O4/c1-24-12-10-19-14-16(7-8-17(19)22)18(23)20(9-11-21)13-15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3/t16-/m0/s1
InChIKeyFLLQIATWNOLLFS-INIZCTEOSA-N
MW334.42 g/mol
LogP0.89
Rot. Bonds8

About (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 97150658) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID97150658
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)N(CCO)Cc2ccccc2)CCC1=O
InChIInChI=1S/C18H26N2O4/c1-24-12-10-19-14-16(7-8-17(19)22)18(23)20(9-11-21)13-15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3/t16-/m0/s1
InChIKeyFLLQIATWNOLLFS-INIZCTEOSA-N
XLogP0.89
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 42244805
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
N-cyclopropyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43577188
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237
(3S)-N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26399073
(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 25456727
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 107482954
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
N-ethyl-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 72866013

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 97150658) is (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1C[C@@H](C(=O)N(CCO)Cc2ccccc2)CCC1=O.
What is the InChIKey of (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is FLLQIATWNOLLFS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-24-12-10-19-14-16(7-8-17(19)22)18(23)20(9-11-21)13-15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97150658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).