(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C17H32N2O3 — CID 26391310

IUPAC(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCC[C@@](O)(CNC2CCCCCCC2)C1=O
InChIInChI=1S/C17H32N2O3/c1-22-13-12-19-11-7-10-17(21,16(19)20)14-18-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1
InChIKeyFNDMFQWQDVWLKE-QGZVFWFLSA-N
MW312.45 g/mol
LogP1.69
Rot. Bonds6

About (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 26391310) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID26391310
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCC[C@@](O)(CNC2CCCCCCC2)C1=O
InChIInChI=1S/C17H32N2O3/c1-22-13-12-19-11-7-10-17(21,16(19)20)14-18-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1
InChIKeyFNDMFQWQDVWLKE-QGZVFWFLSA-N
XLogP1.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 25381737
(3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42095475
3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 45168549
3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45190640
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
3-[(cyclohexylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56743137
3-[(cyclohexylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 45236045
(3S)-3-[(cycloheptylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205724
N-cyclohexyl-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45221572
(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95202671
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95210577

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 26391310) is (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCC[C@@](O)(CNC2CCCCCCC2)C1=O.
What is the InChIKey of (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is FNDMFQWQDVWLKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-22-13-12-19-11-7-10-17(21,16(19)20)14-18-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 312.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 26391310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).