N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide

C13H22N2O — CID 115595053

IUPACN-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CC=CCC1)N1CCCCC1
InChIInChI=1S/C13H22N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3,12H,2,4-11H2,(H,14,16)
InChIKeyGFPNAKMYVSWYDE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds2

About N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide

N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 115595053) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide
PubChem CID115595053
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CC=CCC1)N1CCCCC1
InChIInChI=1S/C13H22N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3,12H,2,4-11H2,(H,14,16)
InChIKeyGFPNAKMYVSWYDE-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide (CID 115595053) is N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide is O=C(NCC1CC=CCC1)N1CCCCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is GFPNAKMYVSWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3,12H,2,4-11H2,(H,14,16).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115595053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).