1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide

C12H21N3O — CID 55136373

IUPAC1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCCCC#N)CC1
InChIInChI=1S/C12H21N3O/c1-14-12(16)11-5-9-15(10-6-11)8-4-2-3-7-13/h11H,2-6,8-10H2,1H3,(H,14,16)
InChIKeyUPMBVZMTEIYPTD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds5

About 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide

1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55136373) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
PubChem CID55136373
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCCCC#N)CC1
InChIInChI=1S/C12H21N3O/c1-14-12(16)11-5-9-15(10-6-11)8-4-2-3-7-13/h11H,2-6,8-10H2,1H3,(H,14,16)
InChIKeyUPMBVZMTEIYPTD-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide
CID 54967141
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47314367
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 51260859
1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
CID 47464889
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
5-(azocan-1-yl)pentanenitrile
CID 60688798

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide (CID 55136373) is 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CCCCC#N)CC1.
What is the InChIKey of 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is UPMBVZMTEIYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-12(16)11-5-9-15(10-6-11)8-4-2-3-7-13/h11H,2-6,8-10H2,1H3,(H,14,16).
What are the key properties of 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide?
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55136373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).