1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride

C15H21ClN4O — CID 67996042

IUPAC1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1CCN(c2cccnc2OC2CC(N)C2)CC1
InChIInChI=1S/C15H20N4O.ClH/c16-10-11-3-6-19(7-4-11)14-2-1-5-18-15(14)20-13-8-12(17)9-13;/h1-2,5,11-13H,3-4,6-9,17H2;1H
InChIKeyCLCZDNCPGQLJFP-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride

1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride (PubChem CID 67996042) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride
PubChem CID67996042
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1CCN(c2cccnc2OC2CC(N)C2)CC1
InChIInChI=1S/C15H20N4O.ClH/c16-10-11-3-6-19(7-4-11)14-2-1-5-18-15(14)20-13-8-12(17)9-13;/h1-2,5,11-13H,3-4,6-9,17H2;1H
InChIKeyCLCZDNCPGQLJFP-UHFFFAOYSA-N
XLogP2.11
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride (CID 67996042) is 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1CCN(c2cccnc2OC2CC(N)C2)CC1.
What is the InChIKey of 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride?
The InChIKey is CLCZDNCPGQLJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c16-10-11-3-6-19(7-4-11)14-2-1-5-18-15(14)20-13-8-12(17)9-13;/h1-2,5,11-13H,3-4,6-9,17H2;1H.
What are the key properties of 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride?
1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67996042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).