N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide

C14H25N3O — CID 103993891

IUPACN-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C)(C#N)CC1
InChIInChI=1S/C14H25N3O/c1-4-5-8-16-13(18)12(2)17-9-6-14(3,11-15)7-10-17/h12H,4-10H2,1-3H3,(H,16,18)
InChIKeyYUOYAYRVMLRHAT-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds5

About N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide

N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide (PubChem CID 103993891) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
PubChem CID103993891
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C)(C#N)CC1
InChIInChI=1S/C14H25N3O/c1-4-5-8-16-13(18)12(2)17-9-6-14(3,11-15)7-10-17/h12H,4-10H2,1-3H3,(H,16,18)
InChIKeyYUOYAYRVMLRHAT-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
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

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
CID 107160660
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728829
4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124499
N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 113362974
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
CID 103728903
methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
CID 103994008
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
3-[4-[1-(butylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522452
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
4-methyl-1-octanoylpiperidine-4-carbonitrile
CID 113364826

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide (CID 103993891) is N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCC(C)(C#N)CC1.
What is the InChIKey of N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
The InChIKey is YUOYAYRVMLRHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-8-16-13(18)12(2)17-9-6-14(3,11-15)7-10-17/h12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 103993891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).