2-piperidin-1-ylpropylcyanamide

C9H17N3 — CID 62483292

IUPAC2-piperidin-1-ylpropylcyanamide
SMILESCC(CNC#N)N1CCCCC1
InChIInChI=1S/C9H17N3/c1-9(7-11-8-10)12-5-3-2-4-6-12/h9,11H,2-7H2,1H3
InChIKeyTXIJWSDGHDYXGK-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.93
Rot. Bonds3

About 2-piperidin-1-ylpropylcyanamide

2-piperidin-1-ylpropylcyanamide (PubChem CID 62483292) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-piperidin-1-ylpropylcyanamide.

Molecular Properties

Compound Name2-piperidin-1-ylpropylcyanamide
PubChem CID62483292
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-piperidin-1-ylpropylcyanamide
SMILESCC(CNC#N)N1CCCCC1
InChIInChI=1S/C9H17N3/c1-9(7-11-8-10)12-5-3-2-4-6-12/h9,11H,2-7H2,1H3
InChIKeyTXIJWSDGHDYXGK-UHFFFAOYSA-N
XLogP0.93
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 2-piperidin-1-ylpropylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azocan-1-yl)butanenitrile
CID 60913131
1-cyano-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 55207029
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
3-pyrrolidin-1-ylbutanenitrile
CID 46318245
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
1-[1-(sulfamoylamino)propan-2-yl]piperidine
CID 112686143
1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 78995285
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
5-methyl-N-(2-piperidin-1-ylpropyl)heptan-3-amine
CID 54899309
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpropylcyanamide?
The IUPAC name of 2-piperidin-1-ylpropylcyanamide (CID 62483292) is 2-piperidin-1-ylpropylcyanamide.
What is the SMILES notation for 2-piperidin-1-ylpropylcyanamide?
The canonical SMILES for 2-piperidin-1-ylpropylcyanamide is CC(CNC#N)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylpropylcyanamide?
The InChIKey is TXIJWSDGHDYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(7-11-8-10)12-5-3-2-4-6-12/h9,11H,2-7H2,1H3.
What are the key properties of 2-piperidin-1-ylpropylcyanamide?
2-piperidin-1-ylpropylcyanamide has a molecular weight of 167.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpropylcyanamide is sourced from PubChem (CID 62483292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).