N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide

C21H26F2N2O2 — CID 166415999

IUPACN-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2(c3cccc(F)c3F)CCCCC2)CC1
InChIInChI=1S/C21H26F2N2O2/c1-2-18(26)25-13-9-15(10-14-25)20(27)24-21(11-4-3-5-12-21)16-7-6-8-17(22)19(16)23/h2,6-8,15H,1,3-5,9-14H2,(H,24,27)
InChIKeyKYZZUCVLNLMLGQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166415999) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166415999
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2(c3cccc(F)c3F)CCCCC2)CC1
InChIInChI=1S/C21H26F2N2O2/c1-2-18(26)25-13-9-15(10-14-25)20(27)24-21(11-4-3-5-12-21)16-7-6-8-17(22)19(16)23/h2,6-8,15H,1,3-5,9-14H2,(H,24,27)
InChIKeyKYZZUCVLNLMLGQ-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.66
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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Related Compounds

N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411319
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
1-[4-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166403460
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166411028
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413024
N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166410822
N-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405629
N-[(2,3,4,5,6-pentafluorophenyl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405641
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
(3S)-1-acetyl-N-(1-phenylcyclopentyl)pyrrolidine-3-carboxamide
CID 92633244
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166415999) is N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC2(c3cccc(F)c3F)CCCCC2)CC1.
What is the InChIKey of N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is KYZZUCVLNLMLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-2-18(26)25-13-9-15(10-14-25)20(27)24-21(11-4-3-5-12-21)16-7-6-8-17(22)19(16)23/h2,6-8,15H,1,3-5,9-14H2,(H,24,27).
What are the key properties of N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166415999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).