N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide

C16H28N2O — CID 45222551

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide
SMILESC=CCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-2-7-16(19)17-15-10-6-11-18(13-15)12-14-8-4-3-5-9-14/h2,14-15H,1,3-13H2,(H,17,19)
InChIKeyLOVBGKQCRRJWHY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide (PubChem CID 45222551) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide
PubChem CID45222551
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide
SMILESC=CCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-2-7-16(19)17-15-10-6-11-18(13-15)12-14-8-4-3-5-9-14/h2,14-15H,1,3-13H2,(H,17,19)
InChIKeyLOVBGKQCRRJWHY-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
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-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide (CID 45222551) is N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide is C=CCC(=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide?
The InChIKey is LOVBGKQCRRJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-7-16(19)17-15-10-6-11-18(13-15)12-14-8-4-3-5-9-14/h2,14-15H,1,3-13H2,(H,17,19).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide has a molecular weight of 264.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]but-3-enamide is sourced from PubChem (CID 45222551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).