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

C25H32N4O2 — CID 170180044

IUPACN-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C)CC2)ccc1Nc1ccc(CNC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C25H32N4O2/c1-17-9-11-29(12-10-17)22-7-8-23(18(2)13-22)28-21-5-3-19(4-6-21)15-27-25(31)20-14-24(30)26-16-20/h3-8,13,17,20,28H,9-12,14-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyPWQYOICSRKNSAQ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.73
Rot. Bonds6

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

N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 170180044) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID170180044
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C)CC2)ccc1Nc1ccc(CNC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C25H32N4O2/c1-17-9-11-29(12-10-17)22-7-8-23(18(2)13-22)28-21-5-3-19(4-6-21)15-27-25(31)20-14-24(30)26-16-20/h3-8,13,17,20,28H,9-12,14-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyPWQYOICSRKNSAQ-UHFFFAOYSA-N
XLogP3.73
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.73
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-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091
N-[[4-[[6-(4-ethylpiperidin-1-yl)-2-methyl-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062116
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
N-[[4-[[5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062185
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N-[[4-[2,5-dimethyl-4-(4-methylpiperidin-1-yl)anilino]-3-methylphenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 168753035
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 170180044) is N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CCC(C)CC2)ccc1Nc1ccc(CNC(=O)C2CNC(=O)C2)cc1.
What is the InChIKey of N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PWQYOICSRKNSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17-9-11-29(12-10-17)22-7-8-23(18(2)13-22)28-21-5-3-19(4-6-21)15-27-25(31)20-14-24(30)26-16-20/h3-8,13,17,20,28H,9-12,14-16H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 170180044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).