N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide

C14H20F2N2O2 — CID 154793655

IUPACN-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC(C(F)F)C2CC2)CC1
InChIInChI=1S/C14H20F2N2O2/c1-2-11(19)18-7-5-10(6-8-18)14(20)17-12(13(15)16)9-3-4-9/h2,9-10,12-13H,1,3-8H2,(H,17,20)
InChIKeyUWBRQPFUPZEJQH-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.57
Rot. Bonds5

About N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide

N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 154793655) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID154793655
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC(C(F)F)C2CC2)CC1
InChIInChI=1S/C14H20F2N2O2/c1-2-11(19)18-7-5-10(6-8-18)14(20)17-12(13(15)16)9-3-4-9/h2,9-10,12-13H,1,3-8H2,(H,17,20)
InChIKeyUWBRQPFUPZEJQH-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.57
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-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 154793655) is N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC(C(F)F)C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is UWBRQPFUPZEJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-11(19)18-7-5-10(6-8-18)14(20)17-12(13(15)16)9-3-4-9/h2,9-10,12-13H,1,3-8H2,(H,17,20).
What are the key properties of N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2-difluoroethyl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 154793655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).