2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C16H27N3O3 — CID 86850684

IUPAC2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)C2CCOC2)CC1)N1CCCCC1
InChIInChI=1S/C16H27N3O3/c20-15(18-5-2-1-3-6-18)12-17-7-9-19(10-8-17)16(21)14-4-11-22-13-14/h14H,1-13H2
InChIKeyVLMLBOOHDIVROT-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.18
Rot. Bonds3

About 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 86850684) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID86850684
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)C2CCOC2)CC1)N1CCCCC1
InChIInChI=1S/C16H27N3O3/c20-15(18-5-2-1-3-6-18)12-17-7-9-19(10-8-17)16(21)14-4-11-22-13-14/h14H,1-13H2
InChIKeyVLMLBOOHDIVROT-UHFFFAOYSA-N
XLogP0.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 131905064
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
2-(azepan-1-yl)-1-[4-(1,4-dioxan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 134708886
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
CID 45182196
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95342573
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 137345310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 86850684) is 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(C(=O)C2CCOC2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is VLMLBOOHDIVROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c20-15(18-5-2-1-3-6-18)12-17-7-9-19(10-8-17)16(21)14-4-11-22-13-14/h14H,1-13H2.
What are the key properties of 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 309.41 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 86850684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).