tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate

C19H27N3O4 — CID 24789602

IUPACtert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-13-5-7-14(8-6-13)16(23)20-21-17(24)15-9-11-22(12-10-15)18(25)26-19(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyYYVWQDKTGKMFIZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 24789602) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate
PubChem CID24789602
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-13-5-7-14(8-6-13)16(23)20-21-17(24)15-9-11-22(12-10-15)18(25)26-19(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyYYVWQDKTGKMFIZ-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate (CID 24789602) is tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate is Cc1ccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is YYVWQDKTGKMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-5-7-14(8-6-13)16(23)20-21-17(24)15-9-11-22(12-10-15)18(25)26-19(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24789602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).