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

C18H34N2O2 — CID 42095475

IUPAC(3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCC(C)(C)CN1CCC[C@@](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/t18-/m1/s1
InChIKeyYFVDVZUJCQVZRQ-GOSISDBHSA-N
MW310.48 g/mol
LogP2.70
Rot. Bonds4

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

(3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (PubChem CID 42095475) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
PubChem CID42095475
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCC(C)(C)CN1CCC[C@@](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/t18-/m1/s1
InChIKeyYFVDVZUJCQVZRQ-GOSISDBHSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (CID 42095475) is (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is CC(C)(C)CN1CCC[C@@](O)(CNC2CCCCCC2)C1=O.
What is the InChIKey of (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The InChIKey is YFVDVZUJCQVZRQ-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
(3R)-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 (3R)-3-[(cycloheptylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42095475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).