N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide

C11H19N3O — CID 63133316

IUPACN-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCCCC#N)CCCNC1
InChIInChI=1S/C11H19N3O/c1-11(5-4-7-13-9-11)10(15)14-8-3-2-6-12/h13H,2-5,7-9H2,1H3,(H,14,15)
InChIKeyIKBJEXQQCYQDEY-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.80
Rot. Bonds4

About N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide

N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63133316) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
PubChem CID63133316
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCCCC#N)CCCNC1
InChIInChI=1S/C11H19N3O/c1-11(5-4-7-13-9-11)10(15)14-8-3-2-6-12/h13H,2-5,7-9H2,1H3,(H,14,15)
InChIKeyIKBJEXQQCYQDEY-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 103950559
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide (CID 63133316) is N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCCCC#N)CCCNC1.
What is the InChIKey of N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is IKBJEXQQCYQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(5-4-7-13-9-11)10(15)14-8-3-2-6-12/h13H,2-5,7-9H2,1H3,(H,14,15).
What are the key properties of N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide?
N-(3-cyanopropyl)-3-methylpiperidine-3-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-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63133316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).