cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone

C16H28N2O2 — CID 131939794

IUPACcyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(N2CCCC(O)CC2)CC1
InChIInChI=1S/C16H28N2O2/c19-15-5-2-9-17(12-8-15)14-6-10-18(11-7-14)16(20)13-3-1-4-13/h13-15,19H,1-12H2
InChIKeyNKWCNYRGJCQYMZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.62
Rot. Bonds2

About cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone (PubChem CID 131939794) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
PubChem CID131939794
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(N2CCCC(O)CC2)CC1
InChIInChI=1S/C16H28N2O2/c19-15-5-2-9-17(12-8-15)14-6-10-18(11-7-14)16(20)13-3-1-4-13/h13-15,19H,1-12H2
InChIKeyNKWCNYRGJCQYMZ-UHFFFAOYSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
CID 70308947
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(4-hydroxypiperidin-1-yl)-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
CID 177011015
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone (CID 131939794) is cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(N2CCCC(O)CC2)CC1.
What is the InChIKey of cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone?
The InChIKey is NKWCNYRGJCQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-15-5-2-9-17(12-8-15)14-6-10-18(11-7-14)16(20)13-3-1-4-13/h13-15,19H,1-12H2.
What are the key properties of cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131939794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).