1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone

C15H26N2O3 — CID 107406558

IUPAC1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCCC(C)(O)CC2)C1
InChIInChI=1S/C15H26N2O3/c1-12(18)17-8-3-5-13(11-17)14(19)16-9-4-6-15(2,20)7-10-16/h13,20H,3-11H2,1-2H3
InChIKeyJSSHTLHCTYBMNG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.01
Rot. Bonds1

About 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone

1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 107406558) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID107406558
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCCC(C)(O)CC2)C1
InChIInChI=1S/C15H26N2O3/c1-12(18)17-8-3-5-13(11-17)14(19)16-9-4-6-15(2,20)7-10-16/h13,20H,3-11H2,1-2H3
InChIKeyJSSHTLHCTYBMNG-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72879124
1-(4-hydroxy-4-methylazepane-1-carbonyl)azetidine-3-carboxylic acid
CID 107405522
(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404307
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone (CID 107406558) is 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCCC(C)(O)CC2)C1.
What is the InChIKey of 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is JSSHTLHCTYBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(18)17-8-3-5-13(11-17)14(19)16-9-4-6-15(2,20)7-10-16/h13,20H,3-11H2,1-2H3.
What are the key properties of 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone?
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 282.38 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 107406558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).