N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide

C22H28N4O2 — CID 48748137

IUPACN,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide
SMILESCC1CCN(c2ccc(NC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-16-11-13-26(14-12-16)20-9-7-18(8-10-20)23-22(28)24-19-6-4-5-17(15-19)21(27)25(2)3/h4-10,15-16H,11-14H2,1-3H3,(H2,23,24,28)
InChIKeyULWTVIDRAYBJSC-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.27
Rot. Bonds4

About N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide

N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide (PubChem CID 48748137) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide
PubChem CID48748137
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide
SMILESCC1CCN(c2ccc(NC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-16-11-13-26(14-12-16)20-9-7-18(8-10-20)23-22(28)24-19-6-4-5-17(15-19)21(27)25(2)3/h4-10,15-16H,11-14H2,1-3H3,(H2,23,24,28)
InChIKeyULWTVIDRAYBJSC-UHFFFAOYSA-N
XLogP4.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55529341
N,N-dimethyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43725406
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991943
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
methyl 3-[[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041431
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide (CID 48748137) is N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide is CC1CCN(c2ccc(NC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is ULWTVIDRAYBJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-11-13-26(14-12-16)20-9-7-18(8-10-20)23-22(28)24-19-6-4-5-17(15-19)21(27)25(2)3/h4-10,15-16H,11-14H2,1-3H3,(H2,23,24,28).
What are the key properties of N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide?
N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 48748137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).