N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C24H29FN4O2 — CID 170180091

IUPACN-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)C4)c(F)c3)cc2)CC1
InChIInChI=1S/C24H29FN4O2/c1-16-8-10-29(11-9-16)21-6-4-19(5-7-21)28-20-3-2-17(22(25)13-20)14-27-24(31)18-12-23(30)26-15-18/h2-7,13,16,18,28H,8-12,14-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyRPAHKTFLBIQUGW-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.56
Rot. Bonds6

About N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 170180091) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID170180091
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)C4)c(F)c3)cc2)CC1
InChIInChI=1S/C24H29FN4O2/c1-16-8-10-29(11-9-16)21-6-4-19(5-7-21)28-20-3-2-17(22(25)13-20)14-27-24(31)18-12-23(30)26-15-18/h2-7,13,16,18,28H,8-12,14-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyRPAHKTFLBIQUGW-UHFFFAOYSA-N
XLogP3.56
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78942020
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
1-ethyl-N-[[2-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062458
N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062185
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 170180091) is N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)C4)c(F)c3)cc2)CC1.
What is the InChIKey of N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RPAHKTFLBIQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-16-8-10-29(11-9-16)21-6-4-19(5-7-21)28-20-3-2-17(22(25)13-20)14-27-24(31)18-12-23(30)26-15-18/h2-7,13,16,18,28H,8-12,14-15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 170180091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).