ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

C27H33N3O4 — CID 45177381

IUPACethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC23CCN(C(=O)c2cccc4ccccc24)CC3)CC1
InChIInChI=1S/C27H33N3O4/c1-2-34-26(33)30-14-10-20(11-15-30)28-24(31)23-18-27(23)12-16-29(17-13-27)25(32)22-9-5-7-19-6-3-4-8-21(19)22/h3-9,20,23H,2,10-18H2,1H3,(H,28,31)
InChIKeyMOMMECREUPVERD-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.82
Rot. Bonds4

About ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 45177381) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID45177381
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Nameethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC23CCN(C(=O)c2cccc4ccccc24)CC3)CC1
InChIInChI=1S/C27H33N3O4/c1-2-34-26(33)30-14-10-20(11-15-30)28-24(31)23-18-27(23)12-16-29(17-13-27)25(32)22-9-5-7-19-6-3-4-8-21(19)22/h3-9,20,23H,2,10-18H2,1H3,(H,28,31)
InChIKeyMOMMECREUPVERD-UHFFFAOYSA-N
XLogP3.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (CID 45177381) is ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC23CCN(C(=O)c2cccc4ccccc24)CC3)CC1.
What is the InChIKey of ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is MOMMECREUPVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-2-34-26(33)30-14-10-20(11-15-30)28-24(31)23-18-27(23)12-16-29(17-13-27)25(32)22-9-5-7-19-6-3-4-8-21(19)22/h3-9,20,23H,2,10-18H2,1H3,(H,28,31).
What are the key properties of ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(naphthalene-1-carbonyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45177381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).