1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile

C14H22N2O — CID 80501195

IUPAC1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C)CN(C(=O)C2(C#N)CC(C)C2)C1
InChIInChI=1S/C14H22N2O/c1-10-4-11(2)8-16(7-10)13(17)14(9-15)5-12(3)6-14/h10-12H,4-8H2,1-3H3
InChIKeyPWICTBFPICFVKO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.43
Rot. Bonds1

About 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile

1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile (PubChem CID 80501195) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
PubChem CID80501195
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C)CN(C(=O)C2(C#N)CC(C)C2)C1
InChIInChI=1S/C14H22N2O/c1-10-4-11(2)8-16(7-10)13(17)14(9-15)5-12(3)6-14/h10-12H,4-8H2,1-3H3
InChIKeyPWICTBFPICFVKO-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-5-oxopentanenitrile
CID 129349436
2-[1-(3,3-Difluorocyclobutanecarbonyl)-4-methylpiperidin-4-yl]acetonitrile
CID 132101250
2-[4-Tert-butyl-1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]acetonitrile
CID 137536227
2-[1-(3,3-Difluorocyclobutanecarbonyl)-4-propan-2-ylpiperidin-4-yl]acetonitrile
CID 137536735
2-[1-(3,3-Difluorocyclobutanecarbonyl)-4-methylpiperidin-4-yl]acetonitrile;ethane
CID 145395209
2-[1-(3,3-Difluorocyclobutanecarbonyl)-4-ethylpiperidin-4-yl]acetonitrile
CID 170123349
Dimethyl-2-oxopiperidine-3-carbonitrile
CID 129769183
2-Ethyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanenitrile
CID 65536461
2-[3-(Trifluoromethyl)piperidine-1-carbonyl]pentanenitrile
CID 65539156
1-[4-(2,2,2-Trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 78994527
1-[3-(Trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 78994663
1-[4-(Trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 79036860

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile (CID 80501195) is 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile is CC1CC(C)CN(C(=O)C2(C#N)CC(C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
The InChIKey is PWICTBFPICFVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-11(2)8-16(7-10)13(17)14(9-15)5-12(3)6-14/h10-12H,4-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile?
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 80501195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).