1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide

C24H31N5O3 — CID 50845712

IUPAC1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)C1
InChIInChI=1S/C24H31N5O3/c1-4-25-22(30)18-6-5-13-29(15-18)24(32)27-20-10-8-19(9-11-20)26-23(31)28-21-12-7-16(2)14-17(21)3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,25,30)(H,27,32)(H2,26,28,31)
InChIKeyNJSUYIZKIGPXMM-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.33
Rot. Bonds5

About 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide

1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide (PubChem CID 50845712) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
PubChem CID50845712
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)C1
InChIInChI=1S/C24H31N5O3/c1-4-25-22(30)18-6-5-13-29(15-18)24(32)27-20-10-8-19(9-11-20)26-23(31)28-21-12-7-16(2)14-17(21)3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,25,30)(H,27,32)(H2,26,28,31)
InChIKeyNJSUYIZKIGPXMM-UHFFFAOYSA-N
XLogP4.33
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900276
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 95116259
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840485
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide (CID 50845712) is 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide is CCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)C1.
What is the InChIKey of 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
The InChIKey is NJSUYIZKIGPXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-4-25-22(30)18-6-5-13-29(15-18)24(32)27-20-10-8-19(9-11-20)26-23(31)28-21-12-7-16(2)14-17(21)3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,25,30)(H,27,32)(H2,26,28,31).
What are the key properties of 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide?
1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.33, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 50845712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).