tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate

C24H37N3O7 — CID 24513966

IUPACtert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOc1cc(C(=O)NNC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc(OCC)c1OCC
InChIInChI=1S/C24H37N3O7/c1-7-31-18-13-17(14-19(32-8-2)20(18)33-9-3)22(29)26-25-21(28)16-11-10-12-27(15-16)23(30)34-24(4,5)6/h13-14,16H,7-12,15H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyLWWMOJUGGBGPMG-UHFFFAOYSA-N
MW479.57 g/mol
LogP3.29
Rot. Bonds8

About tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 24513966) has the molecular formula C24H37N3O7 and a molecular weight of 479.57 g/mol. Its IUPAC name is tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
PubChem CID24513966
Molecular FormulaC24H37N3O7
Molecular Weight479.57 g/mol
Exact Mass479.26
IUPAC Nametert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOc1cc(C(=O)NNC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc(OCC)c1OCC
InChIInChI=1S/C24H37N3O7/c1-7-31-18-13-17(14-19(32-8-2)20(18)33-9-3)22(29)26-25-21(28)16-11-10-12-27(15-16)23(30)34-24(4,5)6/h13-14,16H,7-12,15H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyLWWMOJUGGBGPMG-UHFFFAOYSA-N
XLogP3.29
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642
tert-butyl 3-[[(2-fluorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 166104055
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
ethyl (3R)-1-[(3,4,5-triethoxybenzoyl)carbamothioyl]piperidine-3-carboxylate
CID 41100694
tert-butyl 3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24515671
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
tert-butyl 3-[[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55639950
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082756

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate (CID 24513966) is tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate is CCOc1cc(C(=O)NNC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc(OCC)c1OCC.
What is the InChIKey of tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is LWWMOJUGGBGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O7/c1-7-31-18-13-17(14-19(32-8-2)20(18)33-9-3)22(29)26-25-21(28)16-11-10-12-27(15-16)23(30)34-24(4,5)6/h13-14,16H,7-12,15H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 479.57 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24513966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).