N-(4-cyano-1-methylpiperidin-4-yl)propanamide

C10H17N3O — CID 60967401

IUPACN-(4-cyano-1-methylpiperidin-4-yl)propanamide
SMILESCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H17N3O/c1-3-9(14)12-10(8-11)4-6-13(2)7-5-10/h3-7H2,1-2H3,(H,12,14)
InChIKeyUKIJVDVCGJDWEI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds2

About N-(4-cyano-1-methylpiperidin-4-yl)propanamide

N-(4-cyano-1-methylpiperidin-4-yl)propanamide (PubChem CID 60967401) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)propanamide
PubChem CID60967401
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)propanamide
SMILESCCC(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H17N3O/c1-3-9(14)12-10(8-11)4-6-13(2)7-5-10/h3-7H2,1-2H3,(H,12,14)
InChIKeyUKIJVDVCGJDWEI-UHFFFAOYSA-N
XLogP0.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)propanamide (CID 60967401) is N-(4-cyano-1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)propanamide is CCC(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The InChIKey is UKIJVDVCGJDWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9(14)12-10(8-11)4-6-13(2)7-5-10/h3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
N-(4-cyano-1-methylpiperidin-4-yl)propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 60967401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).