1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile

C11H17N3O2 — CID 79085997

IUPAC1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CC1CCCO1
InChIInChI=1S/C11H17N3O2/c12-7-9-8-13-3-4-14(9)11(15)6-10-2-1-5-16-10/h9-10,13H,1-6,8H2
InChIKeyKYBGHQFSNLSAIN-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.12
Rot. Bonds2

About 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile

1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile (PubChem CID 79085997) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
PubChem CID79085997
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CC1CCCO1
InChIInChI=1S/C11H17N3O2/c12-7-9-8-13-3-4-14(9)11(15)6-10-2-1-5-16-10/h9-10,13H,1-6,8H2
InChIKeyKYBGHQFSNLSAIN-UHFFFAOYSA-N
XLogP-0.12
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(oxan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085472
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
1-(2-cyclopropylacetyl)piperazine-2-carbonitrile
CID 79085491
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 120880679
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
CID 79086610
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
CID 65156463
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile (CID 79085997) is 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)CC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile?
The InChIKey is KYBGHQFSNLSAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-7-9-8-13-3-4-14(9)11(15)6-10-2-1-5-16-10/h9-10,13H,1-6,8H2.
What are the key properties of 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile?
1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).