3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile

C18H20N6O2 — CID 143434669

IUPAC3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCCO3)n2)c1
InChIInChI=1S/C18H20N6O2/c19-12-13-5-3-6-14(11-13)24-21-17(20-22-24)15-7-1-2-9-23(15)18(25)16-8-4-10-26-16/h3,5-6,11,15-16H,1-2,4,7-10H2
InChIKeyBHFPCLGUYDKUFP-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.77
Rot. Bonds3

About 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile

3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile (PubChem CID 143434669) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
PubChem CID143434669
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCCO3)n2)c1
InChIInChI=1S/C18H20N6O2/c19-12-13-5-3-6-14(11-13)24-21-17(20-22-24)15-7-1-2-9-23(15)18(25)16-8-4-10-26-16/h3,5-6,11,15-16H,1-2,4,7-10H2
InChIKeyBHFPCLGUYDKUFP-UHFFFAOYSA-N
XLogP1.77
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carbothioic S-acid
CID 141188437
3-[5-[1-(2-methylbutanoyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 70315288
3-[5-[1-(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 59007719
furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 67516332
2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
CID 118738119
(4-bromocyclopenta-1,3-dien-1-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 143434663
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 41012818
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile (CID 143434669) is 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile is N#Cc1cccc(-n2nnc(C3CCCCN3C(=O)C3CCCO3)n2)c1.
What is the InChIKey of 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
The InChIKey is BHFPCLGUYDKUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-12-13-5-3-6-14(11-13)24-21-17(20-22-24)15-7-1-2-9-23(15)18(25)16-8-4-10-26-16/h3,5-6,11,15-16H,1-2,4,7-10H2.
What are the key properties of 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile?
3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile has a molecular weight of 352.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile is sourced from PubChem (CID 143434669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).