4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one

C17H25NO4 — CID 138380754

IUPAC4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(C3(O)CC3)CC2)C2(CCCC2)O1
InChIInChI=1S/C17H25NO4/c19-14-11-13(17(22-14)5-1-2-6-17)15(20)18-9-3-12(4-10-18)16(21)7-8-16/h12-13,21H,1-11H2
InChIKeyYREJJEBWSCJPCR-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.63
Rot. Bonds2

About 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one

4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one (PubChem CID 138380754) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
PubChem CID138380754
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(C3(O)CC3)CC2)C2(CCCC2)O1
InChIInChI=1S/C17H25NO4/c19-14-11-13(17(22-14)5-1-2-6-17)15(20)18-9-3-12(4-10-18)16(21)7-8-16/h12-13,21H,1-11H2
InChIKeyYREJJEBWSCJPCR-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131933192
4-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 135100856
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45231104
4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131892835
N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131930942
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one (CID 138380754) is 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCC(C3(O)CC3)CC2)C2(CCCC2)O1.
What is the InChIKey of 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is YREJJEBWSCJPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c19-14-11-13(17(22-14)5-1-2-6-17)15(20)18-9-3-12(4-10-18)16(21)7-8-16/h12-13,21H,1-11H2.
What are the key properties of 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 307.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138380754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).