1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one

C18H30N2O3 — CID 111538893

IUPAC1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C(CC1(O)CCCC1)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C18H30N2O3/c21-16-5-1-4-10-20(16)14-15-6-11-19(12-7-15)17(22)13-18(23)8-2-3-9-18/h15,23H,1-14H2
InChIKeyPEFPLUOMYRVPHS-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.93
Rot. Bonds4

About 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one

1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 111538893) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
PubChem CID111538893
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
SMILESO=C(CC1(O)CCCC1)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C18H30N2O3/c21-16-5-1-4-10-20(16)14-15-6-11-19(12-7-15)17(22)13-18(23)8-2-3-9-18/h15,23H,1-14H2
InChIKeyPEFPLUOMYRVPHS-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-N,N-dimethylacetamide
CID 110028300
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
4-[3-oxo-3-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]propyl]benzoic acid
CID 119185876
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693400
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one (CID 111538893) is 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one is O=C(CC1(O)CCCC1)N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is PEFPLUOMYRVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-16-5-1-4-10-20(16)14-15-6-11-19(12-7-15)17(22)13-18(23)8-2-3-9-18/h15,23H,1-14H2.
What are the key properties of 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 322.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 111538893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).