N-(cyanomethyl)-3-piperidin-3-ylbutanamide

C11H19N3O — CID 81044352

IUPACN-(cyanomethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC#N)C1CCCNC1
InChIInChI=1S/C11H19N3O/c1-9(7-11(15)14-6-4-12)10-3-2-5-13-8-10/h9-10,13H,2-3,5-8H2,1H3,(H,14,15)
InChIKeyFBNFLHVABWYPTA-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.65
Rot. Bonds4

About N-(cyanomethyl)-3-piperidin-3-ylbutanamide

N-(cyanomethyl)-3-piperidin-3-ylbutanamide (PubChem CID 81044352) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(cyanomethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-piperidin-3-ylbutanamide
PubChem CID81044352
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(cyanomethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC#N)C1CCCNC1
InChIInChI=1S/C11H19N3O/c1-9(7-11(15)14-6-4-12)10-3-2-5-13-8-10/h9-10,13H,2-3,5-8H2,1H3,(H,14,15)
InChIKeyFBNFLHVABWYPTA-UHFFFAOYSA-N
XLogP0.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(cyanomethyl)-3-piperidin-3-ylbutanamide (CID 81044352) is N-(cyanomethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(cyanomethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(cyanomethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC#N)C1CCCNC1.
What is the InChIKey of N-(cyanomethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is FBNFLHVABWYPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(7-11(15)14-6-4-12)10-3-2-5-13-8-10/h9-10,13H,2-3,5-8H2,1H3,(H,14,15).
What are the key properties of N-(cyanomethyl)-3-piperidin-3-ylbutanamide?
N-(cyanomethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).