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

C14H25N3O — CID 113362974

IUPACN-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCC(C)(C#N)CC1
InChIInChI=1S/C14H25N3O/c1-11(12(18)16-13(2,3)4)17-8-6-14(5,10-15)7-9-17/h11H,6-9H2,1-5H3,(H,16,18)
InChIKeyPXUPZNHEOMFBRG-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds2

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

N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide (PubChem CID 113362974) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
PubChem CID113362974
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCC(C)(C#N)CC1
InChIInChI=1S/C14H25N3O/c1-11(12(18)16-13(2,3)4)17-8-6-14(5,10-15)7-9-17/h11H,6-9H2,1-5H3,(H,16,18)
InChIKeyPXUPZNHEOMFBRG-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
CID 103994008
N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 103993891
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55201576
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide
CID 60681867
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 91642695
(2R)-N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 99122935

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide (CID 113362974) is N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide is CC(C(=O)NC(C)(C)C)N1CCC(C)(C#N)CC1.
What is the InChIKey of N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
The InChIKey is PXUPZNHEOMFBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(12(18)16-13(2,3)4)17-8-6-14(5,10-15)7-9-17/h11H,6-9H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide?
N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 113362974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).