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

C23H29N5O2 — CID 170180087

IUPACN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)N4CNC(=O)C4)cc3)cc2)CC1
InChIInChI=1S/C23H29N5O2/c1-17-10-12-27(13-11-17)21-8-6-20(7-9-21)26-19-4-2-18(3-5-19)14-24-23(30)28-15-22(29)25-16-28/h2-9,17,26H,10-16H2,1H3,(H,24,30)(H,25,29)
InChIKeyQQIZERIWPXFWPO-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.27
Rot. Bonds5

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

N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 170180087) 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]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
PubChem CID170180087
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)N4CNC(=O)C4)cc3)cc2)CC1
InChIInChI=1S/C23H29N5O2/c1-17-10-12-27(13-11-17)21-8-6-20(7-9-21)26-19-4-2-18(3-5-19)14-24-23(30)28-15-22(29)25-16-28/h2-9,17,26H,10-16H2,1H3,(H,24,30)(H,25,29)
InChIKeyQQIZERIWPXFWPO-UHFFFAOYSA-N
XLogP3.27
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.27
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-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006
4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
CID 115584071
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide (CID 170180087) is N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide is CC1CCN(c2ccc(Nc3ccc(CNC(=O)N4CNC(=O)C4)cc3)cc2)CC1.
What is the InChIKey of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is QQIZERIWPXFWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17-10-12-27(13-11-17)21-8-6-20(7-9-21)26-19-4-2-18(3-5-19)14-24-23(30)28-15-22(29)25-16-28/h2-9,17,26H,10-16H2,1H3,(H,24,30)(H,25,29).
What are the key properties of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide?
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 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]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 170180087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).