N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide

C12H20N2O — CID 114694966

IUPACN-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1CC=CC1
InChIInChI=1S/C12H20N2O/c1-9-11(7-4-8-13-9)14-12(15)10-5-2-3-6-10/h2-3,9-11,13H,4-8H2,1H3,(H,14,15)
InChIKeyVZSSXKXYLTYSMT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.21
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide

N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 114694966) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
PubChem CID114694966
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1CC=CC1
InChIInChI=1S/C12H20N2O/c1-9-11(7-4-8-13-9)14-12(15)10-5-2-3-6-10/h2-3,9-11,13H,4-8H2,1H3,(H,14,15)
InChIKeyVZSSXKXYLTYSMT-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.21
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 N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide (CID 114694966) is N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide is CC1NCCCC1NC(=O)C1CC=CC1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is VZSSXKXYLTYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-11(7-4-8-13-9)14-12(15)10-5-2-3-6-10/h2-3,9-11,13H,4-8H2,1H3,(H,14,15).
What are the key properties of N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide?
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 114694966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).