1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one

C15H28N2O2 — CID 107404314

IUPAC1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
SMILESCC1(O)CCCN(C(=O)CCC2CCCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)7-3-10-17(11-8-15)14(18)6-5-13-4-2-9-16-12-13/h13,16,19H,2-12H2,1H3
InChIKeyFZHQIFAQEYIMKB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds3

About 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one

1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one (PubChem CID 107404314) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
PubChem CID107404314
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
SMILESCC1(O)CCCN(C(=O)CCC2CCCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(19)7-3-10-17(11-8-15)14(18)6-5-13-4-2-9-16-12-13/h13,16,19H,2-12H2,1H3
InChIKeyFZHQIFAQEYIMKB-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107219335
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 103356003
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
CID 66372384
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
1-(4-hydroxy-4-methylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 107405797
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
2-[4-(aminomethyl)cyclohexyl]-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107408880

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one (CID 107404314) is 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one is CC1(O)CCCN(C(=O)CCC2CCCNC2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is FZHQIFAQEYIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(19)7-3-10-17(11-8-15)14(18)6-5-13-4-2-9-16-12-13/h13,16,19H,2-12H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one?
1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 107404314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).