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

C27H38N4O4 — CID 45215721

IUPACethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC23CCN(C(=O)c2ccc(N4CCCC4)cc2)CC3)CC1
InChIInChI=1S/C27H38N4O4/c1-2-35-26(34)31-15-9-21(10-16-31)28-24(32)23-19-27(23)11-17-30(18-12-27)25(33)20-5-7-22(8-6-20)29-13-3-4-14-29/h5-8,21,23H,2-4,9-19H2,1H3,(H,28,32)
InChIKeyXQXPSDZFBJQNRU-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.27
Rot. Bonds5

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

ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 45215721) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID45215721
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Nameethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC23CCN(C(=O)c2ccc(N4CCCC4)cc2)CC3)CC1
InChIInChI=1S/C27H38N4O4/c1-2-35-26(34)31-15-9-21(10-16-31)28-24(32)23-19-27(23)11-17-30(18-12-27)25(33)20-5-7-22(8-6-20)29-13-3-4-14-29/h5-8,21,23H,2-4,9-19H2,1H3,(H,28,32)
InChIKeyXQXPSDZFBJQNRU-UHFFFAOYSA-N
XLogP3.27
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(2R)-6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42418958
ethyl 4-[[6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45200006
ethyl 4-[[6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45240534
ethyl 4-[[(2R)-6-(3-phenoxypropanoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42539034
ethyl 4-[[6-[(3,4-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45168562
ethyl 4-[[(2S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 25290631
ethyl 4-[[(2R)-6-[(3R)-3-(5-methylfuran-2-yl)butyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26282736
ethyl 4-[[(2S)-6-[[(1S)-cyclohex-3-en-1-yl]methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26278265
ethyl 4-[[(2R)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 125165941
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (CID 45215721) is ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC23CCN(C(=O)c2ccc(N4CCCC4)cc2)CC3)CC1.
What is the InChIKey of ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XQXPSDZFBJQNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-2-35-26(34)31-15-9-21(10-16-31)28-24(32)23-19-27(23)11-17-30(18-12-27)25(33)20-5-7-22(8-6-20)29-13-3-4-14-29/h5-8,21,23H,2-4,9-19H2,1H3,(H,28,32).
What are the key properties of ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 482.63 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45215721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).