tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate

C16H23N3O5 — CID 49042732

IUPACtert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccoc2)CC1
InChIInChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)19-7-4-11(5-8-19)13(20)17-18-14(21)12-6-9-23-10-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQPDWFVRMBJXJNK-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.69
Rot. Bonds2

About tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate (PubChem CID 49042732) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate
PubChem CID49042732
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Nametert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccoc2)CC1
InChIInChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)19-7-4-11(5-8-19)13(20)17-18-14(21)12-6-9-23-10-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQPDWFVRMBJXJNK-UHFFFAOYSA-N
XLogP1.69
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.69
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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Related Compounds

tert-butyl 4-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperazine-1-carboxylate
CID 51963673
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674
tert-butyl 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 9375528
tert-butyl 4-[(quinoline-2-carbonylamino)carbamoyl]piperidine-1-carboxylate
CID 55407431
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
tert-butyl 4-[4-[[(4-ethoxycarbonylcyclohexanecarbonyl)amino]carbamoyl]phenyl]piperidine-1-carboxylate
CID 67844071
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
tert-butyl 4-[[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]carbamoyl]piperidine-1-carboxylate
CID 46657166
tert-butyl 4-[2-(furan-2-carbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 30797213
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
tert-butyl 3-(benzoylcarbamoyl)pyrrolidine-1-carboxylate
CID 169094514

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate (CID 49042732) is tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccoc2)CC1.
What is the InChIKey of tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate?
The InChIKey is QPDWFVRMBJXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)19-7-4-11(5-8-19)13(20)17-18-14(21)12-6-9-23-10-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 49042732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).