N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide

C20H26F2N4O2 — CID 166410822

IUPACN-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2(c3nc(C)cc(C(F)F)n3)CCCC2)CC1
InChIInChI=1S/C20H26F2N4O2/c1-3-16(27)26-10-6-14(7-11-26)18(28)25-20(8-4-5-9-20)19-23-13(2)12-15(24-19)17(21)22/h3,12,14,17H,1,4-11H2,2H3,(H,25,28)
InChIKeyOWWTZVWNRPNDNF-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.03
Rot. Bonds5

About N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166410822) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166410822
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC NameN-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2(c3nc(C)cc(C(F)F)n3)CCCC2)CC1
InChIInChI=1S/C20H26F2N4O2/c1-3-16(27)26-10-6-14(7-11-26)18(28)25-20(8-4-5-9-20)19-23-13(2)12-15(24-19)17(21)22/h3,12,14,17H,1,4-11H2,2H3,(H,25,28)
InChIKeyOWWTZVWNRPNDNF-UHFFFAOYSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166411028
N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166415999
N-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405629
1-(furan-2-carbonyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]piperidine-4-carboxamide
CID 55528496
N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411319
N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 172888872
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413024
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405559
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86822640
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
N-[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166412785

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166410822) is N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC2(c3nc(C)cc(C(F)F)n3)CCCC2)CC1.
What is the InChIKey of N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is OWWTZVWNRPNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-3-16(27)26-10-6-14(7-11-26)18(28)25-20(8-4-5-9-20)19-23-13(2)12-15(24-19)17(21)22/h3,12,14,17H,1,4-11H2,2H3,(H,25,28).
What are the key properties of N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166410822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).