methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate

C18H29N3O4 — CID 97274984

IUPACmethyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
SMILESCCN1CC2(CCN(C(=O)[C@H]3CCCCN3C(=O)OC)CC2)CC1=O
InChIInChI=1S/C18H29N3O4/c1-3-19-13-18(12-15(19)22)7-10-20(11-8-18)16(23)14-6-4-5-9-21(14)17(24)25-2/h14H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyQKJMHUNIGFDEHO-CQSZACIVSA-N
MW351.45 g/mol
LogP1.47
Rot. Bonds2

About methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate

methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate (PubChem CID 97274984) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
PubChem CID97274984
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Namemethyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
SMILESCCN1CC2(CCN(C(=O)[C@H]3CCCCN3C(=O)OC)CC2)CC1=O
InChIInChI=1S/C18H29N3O4/c1-3-19-13-18(12-15(19)22)7-10-20(11-8-18)16(23)14-6-4-5-9-21(14)17(24)25-2/h14H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyQKJMHUNIGFDEHO-CQSZACIVSA-N
XLogP1.47
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate with MolForge

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Related Compounds

methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
CID 97206845
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276430
methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 90648666
1-[2-(6-azaspiro[3.4]octane-6-carbonyl)piperidin-1-yl]propan-1-one
CID 102555137
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
CID 97286093
8-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 95885398
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768
methyl (2R)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 102330821
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate
CID 79833676

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate (CID 97274984) is methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate is CCN1CC2(CCN(C(=O)[C@H]3CCCCN3C(=O)OC)CC2)CC1=O.
What is the InChIKey of methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate?
The InChIKey is QKJMHUNIGFDEHO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-3-19-13-18(12-15(19)22)7-10-20(11-8-18)16(23)14-6-4-5-9-21(14)17(24)25-2/h14H,3-13H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate?
methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 97274984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).