(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone

C15H28N2O2 — CID 131962009

IUPAC(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone
SMILESCN1CCCC[C@H]1C(=O)N1CCC(O)CC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-15(2)10-12(18)7-9-17(11-15)14(19)13-6-4-5-8-16(13)3/h12-13,18H,4-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyUSRLUGCLXZGEEC-ABLWVSNPSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds1

About (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone

(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone (PubChem CID 131962009) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone
PubChem CID131962009
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone
SMILESCN1CCCC[C@H]1C(=O)N1CCC(O)CC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-15(2)10-12(18)7-9-17(11-15)14(19)13-6-4-5-8-16(13)3/h12-13,18H,4-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyUSRLUGCLXZGEEC-ABLWVSNPSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
CID 131905563
(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
CID 145087679
1-methylazepane-2-carbonyl chloride
CID 88548044
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 58394627
(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 131086250
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 131915676
(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
CID 131632229

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone?
The IUPAC name of (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone (CID 131962009) is (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone.
What is the SMILES notation for (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone?
The canonical SMILES for (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone is CN1CCCC[C@H]1C(=O)N1CCC(O)CC(C)(C)C1.
What is the InChIKey of (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone?
The InChIKey is USRLUGCLXZGEEC-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2)10-12(18)7-9-17(11-15)14(19)13-6-4-5-8-16(13)3/h12-13,18H,4-11H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone?
(5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3,3-dimethylazepan-1-yl)-[(2S)-1-methylpiperidin-2-yl]methanone is sourced from PubChem (CID 131962009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).