2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate

C32H40N4O3 — CID 68773282

IUPAC2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate
SMILESCCNC(=O)N(c1ccccc1)C1CCN(C(=O)OCC(C)N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C32H40N4O3/c1-3-33-31(37)36(29-17-11-6-12-18-29)30-19-21-34(22-20-30)32(38)39-25-26(2)35(23-27-13-7-4-8-14-27)24-28-15-9-5-10-16-28/h4-18,26,30H,3,19-25H2,1-2H3,(H,33,37)
InChIKeyPUMNJCJXWUJJEO-UHFFFAOYSA-N
MW528.70 g/mol
LogP5.91
Rot. Bonds10

About 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate

2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate (PubChem CID 68773282) has the molecular formula C32H40N4O3 and a molecular weight of 528.70 g/mol. Its IUPAC name is 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate
PubChem CID68773282
Molecular FormulaC32H40N4O3
Molecular Weight528.70 g/mol
Exact Mass528.31
IUPAC Name2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate
SMILESCCNC(=O)N(c1ccccc1)C1CCN(C(=O)OCC(C)N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C32H40N4O3/c1-3-33-31(37)36(29-17-11-6-12-18-29)30-19-21-34(22-20-30)32(38)39-25-26(2)35(23-27-13-7-4-8-14-27)24-28-15-9-5-10-16-28/h4-18,26,30H,3,19-25H2,1-2H3,(H,33,37)
InChIKeyPUMNJCJXWUJJEO-UHFFFAOYSA-N
XLogP5.91
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(dibenzylamino)propyl] 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate;sulfane
CID 158259646
[(2S)-2-(dibenzylamino)propyl] 4-[N-(phenylcarbamothioyl)anilino]piperidine-1-carboxylate
CID 59578131
[(2S)-2-(dibenzylamino)propyl] 4-(N-(4-fluorophenyl)sulfonylanilino)piperidine-1-carboxylate
CID 59578139
[(2S)-2-(dibenzylamino)propyl] 4-(2-aminoanilino)piperidine-1-carboxylate
CID 25192544
2-(dibenzylamino)propyl 4-oxoazepane-1-carboxylate
CID 67178545
[(2S)-2-(dibenzylamino)propyl] 4-oxoazepane-1-carboxylate;sulfane
CID 160559419
2-(dibenzylamino)propyl (4S)-4-(2-aminoanilino)azepane-1-carboxylate
CID 67177559
[(2S)-2-(dibenzylamino)propyl] 4-(benzotriazol-1-yl)piperidine-1-carboxylate
CID 25192679
[(2S)-2-(dibenzylamino)propyl] 4-(3-benzyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxylate
CID 25191964
2-[1-[2-(dibenzylamino)propoxycarbonyl]piperidin-4-yl]oxy-3-ethylindole-1-carboxylic acid
CID 69141460
2-(dibenzylamino)propyl 4-[3-(2,2-dimethylpropanoyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 68770604
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate?
The IUPAC name of 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate (CID 68773282) is 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate?
The canonical SMILES for 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate is CCNC(=O)N(c1ccccc1)C1CCN(C(=O)OCC(C)N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate?
The InChIKey is PUMNJCJXWUJJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O3/c1-3-33-31(37)36(29-17-11-6-12-18-29)30-19-21-34(22-20-30)32(38)39-25-26(2)35(23-27-13-7-4-8-14-27)24-28-15-9-5-10-16-28/h4-18,26,30H,3,19-25H2,1-2H3,(H,33,37).
What are the key properties of 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate?
2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate has a molecular weight of 528.70 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)propyl 4-[N-(ethylcarbamoyl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 68773282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).