[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C16H30N2O3 — CID 70950376

IUPAC[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCC(C)(C)OCCN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H30N2O3/c1-4-16(2,3)21-13-11-17-7-9-18(10-8-17)15(19)14-6-5-12-20-14/h14H,4-13H2,1-3H3
InChIKeyOLAWHAJRSIBFMK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.51
Rot. Bonds6

About [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 70950376) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID70950376
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCC(C)(C)OCCN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H30N2O3/c1-4-16(2,3)21-13-11-17-7-9-18(10-8-17)15(19)14-6-5-12-20-14/h14H,4-13H2,1-3H3
InChIKeyOLAWHAJRSIBFMK-UHFFFAOYSA-N
XLogP1.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
[4-[2-(3-bromophenoxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78789266
[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51924438
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 70950376) is [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is CCC(C)(C)OCCN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is OLAWHAJRSIBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-16(2,3)21-13-11-17-7-9-18(10-8-17)15(19)14-6-5-12-20-14/h14H,4-13H2,1-3H3.
What are the key properties of [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylbutan-2-yloxy)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 70950376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).