1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile

C15H21N3O4 — CID 126841536

IUPAC1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile
SMILESN#CC1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C15H21N3O4/c16-9-11-10-17(14(19)12-3-1-7-21-12)5-6-18(11)15(20)13-4-2-8-22-13/h11-13H,1-8,10H2/t11?,12-,13-/m1/s1
InChIKeyKSOSQGIFHSXIQO-VFRRUGBOSA-N
MW307.35 g/mol
LogP-0.09
Rot. Bonds2

About 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile

1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile (PubChem CID 126841536) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile
PubChem CID126841536
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile
SMILESN#CC1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C15H21N3O4/c16-9-11-10-17(14(19)12-3-1-7-21-12)5-6-18(11)15(20)13-4-2-8-22-13/h11-13H,1-8,10H2/t11?,12-,13-/m1/s1
InChIKeyKSOSQGIFHSXIQO-VFRRUGBOSA-N
XLogP-0.09
TPSA82.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-4-(oxolane-2-carbonyl)piperazine
CID 4285118
(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
CID 59965676
1,4-Bis((tetrahydrofuran-2-yl)carbonyl)piperazine
CID 3620044
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
CID 27233577
[4-Ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 130359368
[4-Methyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 130359371
Oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone
CID 166851278
[3,4-Dimethyl-5-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 108459426
2,5-Dimethyl-4-(oxolan-2-ylcarbonyl)piperazinyl oxolan-2-yl ketone
CID 5106030
(4-Ethylpiperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 3636284
(4-Tert-butylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 21061600
1-[4-(Oxolan-2-ylcarbonyl)piperazinyl]propan-1-one
CID 25236024

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile?
The IUPAC name of 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile (CID 126841536) is 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile?
The canonical SMILES for 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile is N#CC1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@H]1CCCO1.
What is the InChIKey of 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile?
The InChIKey is KSOSQGIFHSXIQO-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H21N3O4/c16-9-11-10-17(14(19)12-3-1-7-21-12)5-6-18(11)15(20)13-4-2-8-22-13/h11-13H,1-8,10H2/t11?,12-,13-/m1/s1.
What are the key properties of 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile?
1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile is sourced from PubChem (CID 126841536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).