1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide

C14H23N3O — CID 80501435

IUPAC1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2CCN(C)C(C)C2)C1
InChIInChI=1S/C14H23N3O/c1-10-7-14(8-10,9-15)13(18)16-12-4-5-17(3)11(2)6-12/h10-12H,4-8H2,1-3H3,(H,16,18)
InChIKeyZWPWAGIWDDBHFD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.53
Rot. Bonds2

About 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80501435) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
PubChem CID80501435
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NC2CCN(C)C(C)C2)C1
InChIInChI=1S/C14H23N3O/c1-10-7-14(8-10,9-15)13(18)16-12-4-5-17(3)11(2)6-12/h10-12H,4-8H2,1-3H3,(H,16,18)
InChIKeyZWPWAGIWDDBHFD-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80502317
1-cyano-N-(1-ethylpiperidin-3-yl)-3-methylcyclobutane-1-carboxamide
CID 80501614
1-cyano-3-methyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide
CID 103755604
tert-butyl (2R,4R)-4-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 100683081
tert-butyl (2S,4R)-4-[(1-cyanocyclopentanecarbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 100683103
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80598462
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide (CID 80501435) is 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NC2CCN(C)C(C)C2)C1.
What is the InChIKey of 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is ZWPWAGIWDDBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-14(8-10,9-15)13(18)16-12-4-5-17(3)11(2)6-12/h10-12H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).