1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile

C14H22N2O — CID 62331229

IUPAC1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CCCC2)C(C)C1
InChIInChI=1S/C14H22N2O/c1-11-5-8-16(12(2)9-11)13(17)14(10-15)6-3-4-7-14/h11-12H,3-9H2,1-2H3
InChIKeyOCFYDDDTLUFUCB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.72
Rot. Bonds1

About 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile

1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 62331229) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID62331229
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CCCC2)C(C)C1
InChIInChI=1S/C14H22N2O/c1-11-5-8-16(12(2)9-11)13(17)14(10-15)6-3-4-7-14/h11-12H,3-9H2,1-2H3
InChIKeyOCFYDDDTLUFUCB-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile (CID 62331229) is 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile is CC1CCN(C(=O)C2(C#N)CCCC2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is OCFYDDDTLUFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-8-16(12(2)9-11)13(17)14(10-15)6-3-4-7-14/h11-12H,3-9H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile?
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62331229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).