3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

C18H34N2O2 — CID 45168549

IUPAC3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCC(C)(C)CN1CCCC(O)(CNC2CCCCCC2)C1=O
InChIInChI=1S/C18H34N2O2/c1-17(2,3)14-20-12-8-11-18(22,16(20)21)13-19-15-9-6-4-5-7-10-15/h15,19,22H,4-14H2,1-3H3
InChIKeyYFVDVZUJCQVZRQ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.70
Rot. Bonds4

About 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (PubChem CID 45168549) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
PubChem CID45168549
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCC(C)(C)CN1CCCC(O)(CNC2CCCCCC2)C1=O
InChIInChI=1S/C18H34N2O2/c1-17(2,3)14-20-12-8-11-18(22,16(20)21)13-19-15-9-6-4-5-7-10-15/h15,19,22H,4-14H2,1-3H3
InChIKeyYFVDVZUJCQVZRQ-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42095475
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 26391310
(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42557262
3-[(cyclohexylamino)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56743137
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
CID 42301524
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
(3S)-3-[(cyclobutylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26396288
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidin-2-one
CID 26397556
(3S)-3-[(cycloheptylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205724
3-[(cyclohexylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 45236045
(3S)-3-[(cyclobutylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25378903

Frequently Asked Questions

What is the IUPAC name of 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (CID 45168549) is 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is CC(C)(C)CN1CCCC(O)(CNC2CCCCCC2)C1=O.
What is the InChIKey of 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The InChIKey is YFVDVZUJCQVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-17(2,3)14-20-12-8-11-18(22,16(20)21)13-19-15-9-6-4-5-7-10-15/h15,19,22H,4-14H2,1-3H3.
What are the key properties of 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one has a molecular weight of 310.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45168549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).