N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide

C22H42N2O3 — CID 58804748

IUPACN-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide
SMILESCCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCC(=O)NCC
InChIInChI=1S/C22H42N2O3/c1-3-5-8-13-20(25)17-16-19-12-11-15-22(27)24(19)18-10-7-6-9-14-21(26)23-4-2/h19-20,25H,3-18H2,1-2H3,(H,23,26)/t19-,20?/m1/s1
InChIKeyGIEBTFAGQXBZFU-FIWHBWSRSA-N
MW382.59 g/mol
LogP4.18
Rot. Bonds15

About N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide

N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide (PubChem CID 58804748) has the molecular formula C22H42N2O3 and a molecular weight of 382.59 g/mol. Its IUPAC name is N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide.

Molecular Properties

Compound NameN-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide
PubChem CID58804748
Molecular FormulaC22H42N2O3
Molecular Weight382.59 g/mol
Exact Mass382.32
IUPAC NameN-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide
SMILESCCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCC(=O)NCC
InChIInChI=1S/C22H42N2O3/c1-3-5-8-13-20(25)17-16-19-12-11-15-22(27)24(19)18-10-7-6-9-14-21(26)23-4-2/h19-20,25H,3-18H2,1-2H3,(H,23,26)/t19-,20?/m1/s1
InChIKeyGIEBTFAGQXBZFU-FIWHBWSRSA-N
XLogP4.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid
CID 58804739
4-[2-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]ethylsulfanyl]butanoic acid
CID 58770096
7-[(2R)-2-(3-hydroxy-7-sulfanyloctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804803
7-[(2R)-2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 69020366
7-[2-[(3R)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid
CID 91518834
methyl 7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoate
CID 10316917
4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69250449
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
propan-2-yl 7-[(2R)-2-[(3R)-3-hydroxy-4-phenylbutyl]-6-oxopiperidin-1-yl]heptanoate
CID 67359668
7-[(2R)-2-(3-hydroxy-4-thiophen-2-ylbutyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804827
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
methyl 2,7-bis[2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoate
CID 69023632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide?
The IUPAC name of N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide (CID 58804748) is N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide.
What is the SMILES notation for N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide?
The canonical SMILES for N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide is CCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCC(=O)NCC.
What is the InChIKey of N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide?
The InChIKey is GIEBTFAGQXBZFU-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H42N2O3/c1-3-5-8-13-20(25)17-16-19-12-11-15-22(27)24(19)18-10-7-6-9-14-21(26)23-4-2/h19-20,25H,3-18H2,1-2H3,(H,23,26)/t19-,20?/m1/s1.
What are the key properties of N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide?
N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide has a molecular weight of 382.59 g/mol, XLogP of 4.18, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide is sourced from PubChem (CID 58804748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).