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

C24H29N5O3 — CID 166062071

IUPACN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)N4CC(=O)NC(=O)C4)cc3)cc2)CC1
InChIInChI=1S/C24H29N5O3/c1-17-10-12-28(13-11-17)21-8-6-20(7-9-21)26-19-4-2-18(3-5-19)14-25-24(32)29-15-22(30)27-23(31)16-29/h2-9,17,26H,10-16H2,1H3,(H,25,32)(H,27,30,31)
InChIKeyQDRCLCQXZIXPCL-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.83
Rot. Bonds5

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

N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide (PubChem CID 166062071) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
PubChem CID166062071
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(CNC(=O)N4CC(=O)NC(=O)C4)cc3)cc2)CC1
InChIInChI=1S/C24H29N5O3/c1-17-10-12-28(13-11-17)21-8-6-20(7-9-21)26-19-4-2-18(3-5-19)14-25-24(32)29-15-22(30)27-23(31)16-29/h2-9,17,26H,10-16H2,1H3,(H,25,32)(H,27,30,31)
InChIKeyQDRCLCQXZIXPCL-UHFFFAOYSA-N
XLogP2.83
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
N-[[4-[2-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180044
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
N-[[4-[2-fluoro-6-methyl-4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062487
N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide
CID 166062420
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide?
The IUPAC name of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide (CID 166062071) is N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide is CC1CCN(c2ccc(Nc3ccc(CNC(=O)N4CC(=O)NC(=O)C4)cc3)cc2)CC1.
What is the InChIKey of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide?
The InChIKey is QDRCLCQXZIXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-10-12-28(13-11-17)21-8-6-20(7-9-21)26-19-4-2-18(3-5-19)14-25-24(32)29-15-22(30)27-23(31)16-29/h2-9,17,26H,10-16H2,1H3,(H,25,32)(H,27,30,31).
What are the key properties of N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide?
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 166062071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).