2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide

C14H24N2O — CID 107181083

IUPAC2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1=CCNCC1
InChIInChI=1S/C14H24N2O/c1-14(2)7-3-4-12(14)13(17)16-10-11-5-8-15-9-6-11/h5,12,15H,3-4,6-10H2,1-2H3,(H,16,17)
InChIKeyKFEDTOCDKYZESD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.85
Rot. Bonds3

About 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide

2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 107181083) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide
PubChem CID107181083
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1=CCNCC1
InChIInChI=1S/C14H24N2O/c1-14(2)7-3-4-12(14)13(17)16-10-11-5-8-15-9-6-11/h5,12,15H,3-4,6-10H2,1-2H3,(H,16,17)
InChIKeyKFEDTOCDKYZESD-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide (CID 107181083) is 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCC1=CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is KFEDTOCDKYZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)7-3-4-12(14)13(17)16-10-11-5-8-15-9-6-11/h5,12,15H,3-4,6-10H2,1-2H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide?
2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107181083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).