N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C23H29N5O2 — CID 166062307

IUPACN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)N4)cc3)cc2)CC1
InChIInChI=1S/C23H29N5O2/c1-16-10-12-28(13-11-16)20-8-6-19(7-9-20)26-18-4-2-17(3-5-18)14-24-22(29)21-15-25-23(30)27-21/h2-9,16,21,26H,10-15H2,1H3,(H,24,29)(H2,25,27,30)
InChIKeyRGIPOUVDCIFVOJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.96
Rot. Bonds6

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

N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166062307) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166062307
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)N4)cc3)cc2)CC1
InChIInChI=1S/C23H29N5O2/c1-16-10-12-28(13-11-16)20-8-6-19(7-9-20)26-18-4-2-17(3-5-18)14-24-22(29)21-15-25-23(30)27-21/h2-9,16,21,26H,10-15H2,1H3,(H,24,29)(H2,25,27,30)
InChIKeyRGIPOUVDCIFVOJ-UHFFFAOYSA-N
XLogP2.96
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.96
H-Bond Donors ≤ 54
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-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
N-[[4-(4-cyclohexylanilino)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062569
N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062066
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
(4S)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092560
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889
N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 167991173
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 166062307) is N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is CC1CCN(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)N4)cc3)cc2)CC1.
What is the InChIKey of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RGIPOUVDCIFVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-10-12-28(13-11-16)20-8-6-19(7-9-20)26-18-4-2-17(3-5-18)14-24-22(29)21-15-25-23(30)27-21/h2-9,16,21,26H,10-15H2,1H3,(H,24,29)(H2,25,27,30).
What are the key properties of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166062307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).