1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone

C15H27NO3 — CID 112603247

IUPAC1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C15H27NO3/c1-11(2)19-10-15(18)16-9-4-3-7-13(16)12-6-5-8-14(12)17/h11-14,17H,3-10H2,1-2H3
InChIKeyFCTGRQCCCGXPFJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 112603247) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID112603247
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C15H27NO3/c1-11(2)19-10-15(18)16-9-4-3-7-13(16)12-6-5-8-14(12)17/h11-14,17H,3-10H2,1-2H3
InChIKeyFCTGRQCCCGXPFJ-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 79545002
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
N,N-diethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545752
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
1-[2-(chloromethyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 116639008
1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129447529
2-cyclopropyl-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 83148685
3-ethoxy-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546527
2-methylpropyl 2-(2-hydroxycyclohexyl)pyrrolidine-1-carboxylate
CID 79549343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 112603247) is 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is FCTGRQCCCGXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)19-10-15(18)16-9-4-3-7-13(16)12-6-5-8-14(12)17/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 269.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 112603247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).