ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate

C19H27N3O5 — CID 43057335

IUPACethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1
InChIInChI=1S/C19H27N3O5/c1-2-27-19(25)22-8-3-4-14(12-22)17(23)20-16-5-9-21(10-6-16)18(24)15-7-11-26-13-15/h7,11,13-14,16H,2-6,8-10,12H2,1H3,(H,20,23)
InChIKeyOYZTUZWZXRBHPV-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.87
Rot. Bonds4

About ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate

ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 43057335) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID43057335
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nameethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1
InChIInChI=1S/C19H27N3O5/c1-2-27-19(25)22-8-3-4-14(12-22)17(23)20-16-5-9-21(10-6-16)18(24)15-7-11-26-13-15/h7,11,13-14,16H,2-6,8-10,12H2,1H3,(H,20,23)
InChIKeyOYZTUZWZXRBHPV-UHFFFAOYSA-N
XLogP1.87
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30711489
ethyl 2-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 43054937
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 124817203
2-ethyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]piperidine-1-carboxamide
CID 87003503
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate (CID 43057335) is ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1.
What is the InChIKey of ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is OYZTUZWZXRBHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-2-27-19(25)22-8-3-4-14(12-22)17(23)20-16-5-9-21(10-6-16)18(24)15-7-11-26-13-15/h7,11,13-14,16H,2-6,8-10,12H2,1H3,(H,20,23).
What are the key properties of ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate?
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 43057335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).