2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile

C15H17N5 — CID 63626257

IUPAC2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(Nc2cnnc3ccccc23)CC1
InChIInChI=1S/C15H17N5/c16-7-10-20-8-5-12(6-9-20)18-15-11-17-19-14-4-2-1-3-13(14)15/h1-4,11-12H,5-6,8-10H2,(H,18,19)
InChIKeyJSASHTWCDOZJOR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.03
Rot. Bonds3

About 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile

2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile (PubChem CID 63626257) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile
PubChem CID63626257
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCC(Nc2cnnc3ccccc23)CC1
InChIInChI=1S/C15H17N5/c16-7-10-20-8-5-12(6-9-20)18-15-11-17-19-14-4-2-1-3-13(14)15/h1-4,11-12H,5-6,8-10H2,(H,18,19)
InChIKeyJSASHTWCDOZJOR-UHFFFAOYSA-N
XLogP2.03
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile (CID 63626257) is 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile is N#CCN1CCC(Nc2cnnc3ccccc23)CC1.
What is the InChIKey of 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile?
The InChIKey is JSASHTWCDOZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-7-10-20-8-5-12(6-9-20)18-15-11-17-19-14-4-2-1-3-13(14)15/h1-4,11-12H,5-6,8-10H2,(H,18,19).
What are the key properties of 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile?
2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cinnolin-4-ylamino)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 63626257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).