tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate

C16H24N4O3 — CID 21193097

IUPACtert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NNc2ccccn2)CC1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-10-7-12(8-11-20)14(21)19-18-13-6-4-5-9-17-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyRSVFUOSNAZIBOZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate (PubChem CID 21193097) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate
PubChem CID21193097
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nametert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NNc2ccccn2)CC1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-10-7-12(8-11-20)14(21)19-18-13-6-4-5-9-17-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyRSVFUOSNAZIBOZ-UHFFFAOYSA-N
XLogP2.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate (CID 21193097) is tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NNc2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate?
The InChIKey is RSVFUOSNAZIBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)20-10-7-12(8-11-20)14(21)19-18-13-6-4-5-9-17-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(pyridin-2-ylamino)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 21193097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).