2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide

C11H20N3O+ — CID 7162022

IUPAC2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide
SMILESCCC[NH+]1CCC(NC(=O)CC#N)CC1
InChIInChI=1S/C11H19N3O/c1-2-7-14-8-4-10(5-9-14)13-11(15)3-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)/p+1
InChIKeyQSOBBXNLDMDIAQ-UHFFFAOYSA-O
MW210.30 g/mol
LogP-0.53
Rot. Bonds4

About 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide

2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide (PubChem CID 7162022) has the molecular formula C11H20N3O+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide
PubChem CID7162022
Molecular FormulaC11H20N3O+
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC Name2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide
SMILESCCC[NH+]1CCC(NC(=O)CC#N)CC1
InChIInChI=1S/C11H19N3O/c1-2-7-14-8-4-10(5-9-14)13-11(15)3-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)/p+1
InChIKeyQSOBBXNLDMDIAQ-UHFFFAOYSA-O
XLogP-0.53
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide (CID 7162022) is 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide is CCC[NH+]1CCC(NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is QSOBBXNLDMDIAQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19N3O/c1-2-7-14-8-4-10(5-9-14)13-11(15)3-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)/p+1.
What are the key properties of 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide?
2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 210.30 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-propylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 7162022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).