ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

C26H34N4O3 — CID 118754894

IUPACethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1
InChIInChI=1S/C26H34N4O3/c1-2-33-25(32)30-12-7-21(8-13-30)28-24(31)22-17-26(22)9-14-29(15-10-26)18-19-5-6-20-4-3-11-27-23(20)16-19/h3-6,11,16,21-22H,2,7-10,12-15,17-18H2,1H3,(H,28,31)
InChIKeyIEMDROBQDIVWBD-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.57
Rot. Bonds5

About ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 118754894) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID118754894
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Nameethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1
InChIInChI=1S/C26H34N4O3/c1-2-33-25(32)30-12-7-21(8-13-30)28-24(31)22-17-26(22)9-14-29(15-10-26)18-19-5-6-20-4-3-11-27-23(20)16-19/h3-6,11,16,21-22H,2,7-10,12-15,17-18H2,1H3,(H,28,31)
InChIKeyIEMDROBQDIVWBD-UHFFFAOYSA-N
XLogP3.57
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26354667
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 4-[[(2R)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42344279
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-[[(2R)-6-(3-phenoxypropanoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42539034
ethyl 4-[[6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45200006
ethyl 4-[[(2R)-6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42418958
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-[[6-(4-pyrrolidin-1-ylbenzoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45215721
ethyl 4-[[6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45240534

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (CID 118754894) is ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC23CCN(Cc2ccc4cccnc4c2)CC3)CC1.
What is the InChIKey of ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is IEMDROBQDIVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-2-33-25(32)30-12-7-21(8-13-30)28-24(31)22-17-26(22)9-14-29(15-10-26)18-19-5-6-20-4-3-11-27-23(20)16-19/h3-6,11,16,21-22H,2,7-10,12-15,17-18H2,1H3,(H,28,31).
What are the key properties of ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 118754894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).