ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

C23H37N3O5 — CID 92689010

IUPACethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C23H37N3O5/c1-5-30-22(29)26-11-7-23(8-12-26)19(18(4)21(28)31-23)20(27)24-9-6-10-25-14-16(2)13-17(3)15-25/h16-17H,5-15H2,1-4H3,(H,24,27)/t16-,17-/m1/s1
InChIKeyBDVAMMBIUBZHQE-IAGOWNOFSA-N
MW435.57 g/mol
LogP2.34
Rot. Bonds6

About ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 92689010) has the molecular formula C23H37N3O5 and a molecular weight of 435.57 g/mol. Its IUPAC name is ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID92689010
Molecular FormulaC23H37N3O5
Molecular Weight435.57 g/mol
Exact Mass435.27
IUPAC Nameethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C23H37N3O5/c1-5-30-22(29)26-11-7-23(8-12-26)19(18(4)21(28)31-23)20(27)24-9-6-10-25-14-16(2)13-17(3)15-25/h16-17H,5-15H2,1-4H3,(H,24,27)/t16-,17-/m1/s1
InChIKeyBDVAMMBIUBZHQE-IAGOWNOFSA-N
XLogP2.34
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20910742
ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275330
8-acetyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757831
N-[2-(4-ethoxyphenyl)ethyl]-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6622238
ethyl 4-[[N'-[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111057543
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-[2-(cyclohexen-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906666
ethyl 1-(8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)piperidine-4-carboxylate
CID 50789892
ethyl 4-[[N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327684
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 5309811

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (CID 92689010) is ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is BDVAMMBIUBZHQE-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H37N3O5/c1-5-30-22(29)26-11-7-23(8-12-26)19(18(4)21(28)31-23)20(27)24-9-6-10-25-14-16(2)13-17(3)15-25/h16-17H,5-15H2,1-4H3,(H,24,27)/t16-,17-/m1/s1.
What are the key properties of ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 435.57 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propylcarbamoyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 92689010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).