tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate

C18H26N4O5 — CID 9078301

IUPACtert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(26)21-10-7-13(8-11-21)16(25)20-19-14(23)12-22-9-5-4-6-15(22)24/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyKAVDIOYWCMSNFR-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.64
Rot. Bonds3

About tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 9078301) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate
PubChem CID9078301
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Nametert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(26)21-10-7-13(8-11-21)16(25)20-19-14(23)12-22-9-5-4-6-15(22)24/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyKAVDIOYWCMSNFR-UHFFFAOYSA-N
XLogP0.64
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate (CID 9078301) is tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is KAVDIOYWCMSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-18(2,3)27-17(26)21-10-7-13(8-11-21)16(25)20-19-14(23)12-22-9-5-4-6-15(22)24/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,19,23)(H,20,25).
What are the key properties of tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 9078301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).