N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide

C18H31N3O2 — CID 71796755

IUPACN-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)20-17(23)21-11-9-14(10-12-21)13-19-16(22)15-7-5-4-6-8-15/h4-5,14-15H,6-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyYDKHEVHLYRXVSV-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide

N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide (PubChem CID 71796755) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide
PubChem CID71796755
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)20-17(23)21-11-9-14(10-12-21)13-19-16(22)15-7-5-4-6-8-15/h4-5,14-15H,6-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyYDKHEVHLYRXVSV-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.68
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-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide (CID 71796755) is N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide?
The InChIKey is YDKHEVHLYRXVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-18(2,3)20-17(23)21-11-9-14(10-12-21)13-19-16(22)15-7-5-4-6-8-15/h4-5,14-15H,6-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(cyclohex-3-ene-1-carbonylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71796755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).