[2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H26N2O4 — CID 5106030

IUPAC[2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)C(C)CN1C(=O)C1CCCO1
InChIInChI=1S/C16H26N2O4/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h11-14H,3-10H2,1-2H3
InChIKeyNCRJFOUCNRHDNJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP0.79
Rot. Bonds2

About [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 5106030) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID5106030
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name[2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)C(C)CN1C(=O)C1CCCO1
InChIInChI=1S/C16H26N2O4/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h11-14H,3-10H2,1-2H3
InChIKeyNCRJFOUCNRHDNJ-UHFFFAOYSA-N
XLogP0.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(Tetrahydro-2-furyl)carbonyl]piperidine
CID 3458768
1-Methyl-4-(oxolane-2-carbonyl)piperazine
CID 4285118
(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
CID 59965676
(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402729
1,4-Bis((tetrahydrofuran-2-yl)carbonyl)piperazine
CID 3620044
2,6-Dimethylmorpholin-4-yl oxolan-2-yl ketone
CID 2947441
N,N-di-sec-butyltetrahydro-2-furancarboxamide
CID 3282442
{3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-1-azetanyl}(tetrahydro-2-furanyl)methanone
CID 110197186
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
CID 27233577
N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]oxolane-2-carboxamide
CID 60302935
1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile
CID 126841536
(2R)-N-cyclopropyl-N-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxolane-2-carboxamide
CID 127738763

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 5106030) is [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC1CN(C(=O)C2CCCO2)C(C)CN1C(=O)C1CCCO1.
What is the InChIKey of [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is NCRJFOUCNRHDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h11-14H,3-10H2,1-2H3.
What are the key properties of [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 310.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(oxolane-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 5106030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).