N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide

C15H24N2O2 — CID 156564341

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H24N2O2/c1-2-14(18)16-13-8-10-17(11-9-13)15(19)12-6-4-3-5-7-12/h2,12-13H,1,3-11H2,(H,16,18)
InChIKeyPQBPALVTYVQGRH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds3

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide (PubChem CID 156564341) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide
PubChem CID156564341
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H24N2O2/c1-2-14(18)16-13-8-10-17(11-9-13)15(19)12-6-4-3-5-7-12/h2,12-13H,1,3-11H2,(H,16,18)
InChIKeyPQBPALVTYVQGRH-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide (CID 156564341) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is PQBPALVTYVQGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-14(18)16-13-8-10-17(11-9-13)15(19)12-6-4-3-5-7-12/h2,12-13H,1,3-11H2,(H,16,18).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 264.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 156564341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).