oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone

C16H23N3O2 — CID 86844171

IUPACoxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccn1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H23N3O2/c1-13(14-5-2-3-7-17-14)18-8-10-19(11-9-18)16(20)15-6-4-12-21-15/h2-3,5,7,13,15H,4,6,8-12H2,1H3
InChIKeyYCOZEJCKSKRHIB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.47
Rot. Bonds3

About oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 86844171) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
PubChem CID86844171
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameoxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccn1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H23N3O2/c1-13(14-5-2-3-7-17-14)18-8-10-19(11-9-18)16(20)15-6-4-12-21-15/h2-3,5,7,13,15H,4,6,8-12H2,1H3
InChIKeyYCOZEJCKSKRHIB-UHFFFAOYSA-N
XLogP1.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56810069
[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95590599
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
N-[[1-(oxolane-2-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 110226772
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
CID 2025294
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone (CID 86844171) is oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone is CC(c1ccccn1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is YCOZEJCKSKRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(14-5-2-3-7-17-14)18-8-10-19(11-9-18)16(20)15-6-4-12-21-15/h2-3,5,7,13,15H,4,6,8-12H2,1H3.
What are the key properties of oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86844171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).