tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate

C19H29N3O3 — CID 2810650

IUPACtert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate
SMILESCc1ccccc1NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-14-7-5-6-8-16(14)21-17(23)20-13-15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyFJAIAYCLWCNERA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate (PubChem CID 2810650) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate
PubChem CID2810650
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate
SMILESCc1ccccc1NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-14-7-5-6-8-16(14)21-17(23)20-13-15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyFJAIAYCLWCNERA-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate (CID 2810650) is tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate is Cc1ccccc1NC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate?
The InChIKey is FJAIAYCLWCNERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-7-5-6-8-16(14)21-17(23)20-13-15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H2,20,21,23).
What are the key properties of tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 2810650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).