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

C11H19N3O — CID 1247562

IUPAC2-cyano-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(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)
InChIKeyQSOBBXNLDMDIAQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds4

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

2-cyano-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 1247562) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyano-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID1247562
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyano-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(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)
InChIKeyQSOBBXNLDMDIAQ-UHFFFAOYSA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-propylpiperidin-4-yl)acetamide (CID 1247562) is 2-cyano-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is QSOBBXNLDMDIAQ-UHFFFAOYSA-N. 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).
What are the key properties of 2-cyano-N-(1-propylpiperidin-4-yl)acetamide?
2-cyano-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 1247562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).