N-(cyanomethyl)-4-propylpiperidine-4-carboxamide

C11H19N3O — CID 63129150

IUPACN-(cyanomethyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCC#N)CCNCC1
InChIInChI=1S/C11H19N3O/c1-2-3-11(4-7-13-8-5-11)10(15)14-9-6-12/h13H,2-5,7-9H2,1H3,(H,14,15)
InChIKeyJKPOZILTUGOXMF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.80
Rot. Bonds4

About N-(cyanomethyl)-4-propylpiperidine-4-carboxamide

N-(cyanomethyl)-4-propylpiperidine-4-carboxamide (PubChem CID 63129150) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(cyanomethyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-propylpiperidine-4-carboxamide
PubChem CID63129150
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(cyanomethyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCC#N)CCNCC1
InChIInChI=1S/C11H19N3O/c1-2-3-11(4-7-13-8-5-11)10(15)14-9-6-12/h13H,2-5,7-9H2,1H3,(H,14,15)
InChIKeyJKPOZILTUGOXMF-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
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-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-propylpiperidine-4-carboxamide
CID 106276461
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591
N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63127318
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
CID 55177593
N-(2-cyanophenyl)-4-propylpiperidine-4-carboxamide
CID 63127309
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-4-propylpiperidine-4-carboxamide (CID 63129150) is N-(cyanomethyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCC#N)CCNCC1.
What is the InChIKey of N-(cyanomethyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is JKPOZILTUGOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-11(4-7-13-8-5-11)10(15)14-9-6-12/h13H,2-5,7-9H2,1H3,(H,14,15).
What are the key properties of N-(cyanomethyl)-4-propylpiperidine-4-carboxamide?
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63129150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).