benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate

C18H20N2O4 — CID 110821844

IUPACbenzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C18H20N2O4/c21-17(16-7-4-12-23-16)19-15-8-10-20(11-9-15)18(22)24-13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,21)
InChIKeyRDCNNZQAAAYYPD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.81
Rot. Bonds4

About benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate

benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 110821844) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
PubChem CID110821844
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namebenzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C18H20N2O4/c21-17(16-7-4-12-23-16)19-15-8-10-20(11-9-15)18(22)24-13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,21)
InChIKeyRDCNNZQAAAYYPD-UHFFFAOYSA-N
XLogP2.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
N-cyclooctylfuran-2-carboxamide
CID 790432
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(cyclopentylcarbamoyl)-1,4-diazepane-1-carboxylate
CID 110811707

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate (CID 110821844) is benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate is O=C(NC1CCN(C(=O)OCc2ccccc2)CC1)c1ccco1.
What is the InChIKey of benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is RDCNNZQAAAYYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(16-7-4-12-23-16)19-15-8-10-20(11-9-15)18(22)24-13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,21).
What are the key properties of benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate?
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110821844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).