N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one

C26H35F2N3O3 — CID 143888521

IUPACN-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one
SMILESCOCCCc1cc(F)c(F)c(CN(C(=O)C2CCCNC2)C2CC2)c1.Cn1ccccc1=O
InChIInChI=1S/C20H28F2N2O2.C6H7NO/c1-26-9-3-4-14-10-16(19(22)18(21)11-14)13-24(17-6-7-17)20(25)15-5-2-8-23-12-15;1-7-5-3-2-4-6(7)8/h10-11,15,17,23H,2-9,12-13H2,1H3;2-5H,1H3
InChIKeyQFGQGSOKKGNSMX-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.42
Rot. Bonds8

About N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one

N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one (PubChem CID 143888521) has the molecular formula C26H35F2N3O3 and a molecular weight of 475.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one
PubChem CID143888521
Molecular FormulaC26H35F2N3O3
Molecular Weight475.58 g/mol
Exact Mass475.26
IUPAC NameN-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one
SMILESCOCCCc1cc(F)c(F)c(CN(C(=O)C2CCCNC2)C2CC2)c1.Cn1ccccc1=O
InChIInChI=1S/C20H28F2N2O2.C6H7NO/c1-26-9-3-4-14-10-16(19(22)18(21)11-14)13-24(17-6-7-17)20(25)15-5-2-8-23-12-15;1-7-5-3-2-4-6(7)8/h10-11,15,17,23H,2-9,12-13H2,1H3;2-5H,1H3
InChIKeyQFGQGSOKKGNSMX-UHFFFAOYSA-N
XLogP3.42
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide
CID 143888515
(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide;1,4-dimethylpyridin-2-one
CID 143888508
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-(2-methoxyethyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 119307596
N-cyclopropyl-5,6-difluoro-N-[[3-(3-methoxypropyl)naphthalen-1-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide
CID 75603419
(3S,4R)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67062218
N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methyl]piperidine-3-carboxamide;1,3-dichloro-5-methyl-2-(2-phenoxyethoxy)benzene
CID 143672263
(3S,4R)-N-cyclopropyl-N-[[3-(2-cyclopropyloxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66896625
(3R)-N-cyclopropyl-N-[[3-(2-cyclopropyloxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170937

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one?
The IUPAC name of N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one (CID 143888521) is N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one.
What is the SMILES notation for N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one?
The canonical SMILES for N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one is COCCCc1cc(F)c(F)c(CN(C(=O)C2CCCNC2)C2CC2)c1.Cn1ccccc1=O.
What is the InChIKey of N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one?
The InChIKey is QFGQGSOKKGNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2.C6H7NO/c1-26-9-3-4-14-10-16(19(22)18(21)11-14)13-24(17-6-7-17)20(25)15-5-2-8-23-12-15;1-7-5-3-2-4-6(7)8/h10-11,15,17,23H,2-9,12-13H2,1H3;2-5H,1H3.
What are the key properties of N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one?
N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one has a molecular weight of 475.58 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one is sourced from PubChem (CID 143888521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).