1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone

C18H32N2O2 — CID 111538197

IUPAC1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESO=C(CC1(O)CCCC1)N1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-17(14-18(22)9-3-4-10-18)20-13-7-8-16(15-20)19-11-5-1-2-6-12-19/h16,22H,1-15H2
InChIKeyTVROQDPIUDUZNV-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.55
Rot. Bonds3

About 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone

1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111538197) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111538197
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
SMILESO=C(CC1(O)CCCC1)N1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-17(14-18(22)9-3-4-10-18)20-13-7-8-16(15-20)19-11-5-1-2-6-12-19/h16,22H,1-15H2
InChIKeyTVROQDPIUDUZNV-UHFFFAOYSA-N
XLogP2.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 111538467
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
2-(1-aminocyclobutyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79854172
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107029391
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
2-(3-bromo-1-adamantyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 60559215
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone (CID 111538197) is 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone is O=C(CC1(O)CCCC1)N1CCCC(N2CCCCCC2)C1.
What is the InChIKey of 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is TVROQDPIUDUZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17(14-18(22)9-3-4-10-18)20-13-7-8-16(15-20)19-11-5-1-2-6-12-19/h16,22H,1-15H2.
What are the key properties of 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone?
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 308.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111538197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).