1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one

C17H28N2O3 — CID 111538467

IUPAC1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C(CC1(O)CCCCC1)N1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C17H28N2O3/c20-15-7-5-11-19(15)14-6-4-10-18(13-14)16(21)12-17(22)8-2-1-3-9-17/h14,22H,1-13H2
InChIKeyRALJZDZPQFRPDQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.69
Rot. Bonds3

About 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 111538467) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID111538467
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C(CC1(O)CCCCC1)N1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C17H28N2O3/c20-15-7-5-11-19(15)14-6-4-10-18(13-14)16(21)12-17(22)8-2-1-3-9-17/h14,22H,1-13H2
InChIKeyRALJZDZPQFRPDQ-UHFFFAOYSA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 110025342
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
1-[1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 77091056
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
1-cyclodecylpyrrolidin-2-one
CID 138507623
(3S)-N-[[(2R)-oxolan-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765390
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one (CID 111538467) is 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one is O=C(CC1(O)CCCCC1)N1CCCC(N2CCCC2=O)C1.
What is the InChIKey of 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is RALJZDZPQFRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-15-7-5-11-19(15)14-6-4-10-18(13-14)16(21)12-17(22)8-2-1-3-9-17/h14,22H,1-13H2.
What are the key properties of 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 308.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 111538467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).