ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate

C23H29N3O3 — CID 167824012

IUPACethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2ccc3[nH]cc(C4CCNCC4)c3c2)CC12CC2
InChIInChI=1S/C23H29N3O3/c1-2-29-22(28)19-13-26(14-23(19)7-8-23)21(27)16-3-4-20-17(11-16)18(12-25-20)15-5-9-24-10-6-15/h3-4,11-12,15,19,24-25H,2,5-10,13-14H2,1H3
InChIKeyBOWQTBPFYANVLO-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.05
Rot. Bonds4

About ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate

ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate (PubChem CID 167824012) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate
PubChem CID167824012
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate
SMILESCCOC(=O)C1CN(C(=O)c2ccc3[nH]cc(C4CCNCC4)c3c2)CC12CC2
InChIInChI=1S/C23H29N3O3/c1-2-29-22(28)19-13-26(14-23(19)7-8-23)21(27)16-3-4-20-17(11-16)18(12-25-20)15-5-9-24-10-6-15/h3-4,11-12,15,19,24-25H,2,5-10,13-14H2,1H3
InChIKeyBOWQTBPFYANVLO-UHFFFAOYSA-N
XLogP3.05
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate with MolForge

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Related Compounds

1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride
CID 167985225
[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]piperidin-1-yl]-(3-piperidin-4-yl-1H-indol-5-yl)methanone
CID 167751656
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide
CID 167990540
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole
CID 139510161
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
CID 15341740
ethyl 3-[[5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1H-indole-3-carbonyl]amino]propanoate
CID 57456444
methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate
CID 166255803

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate?
The IUPAC name of ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate (CID 167824012) is ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate.
What is the SMILES notation for ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate?
The canonical SMILES for ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate is CCOC(=O)C1CN(C(=O)c2ccc3[nH]cc(C4CCNCC4)c3c2)CC12CC2.
What is the InChIKey of ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate?
The InChIKey is BOWQTBPFYANVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-22(28)19-13-26(14-23(19)7-8-23)21(27)16-3-4-20-17(11-16)18(12-25-20)15-5-9-24-10-6-15/h3-4,11-12,15,19,24-25H,2,5-10,13-14H2,1H3.
What are the key properties of ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate?
ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-piperidin-4-yl-1H-indole-5-carbonyl)-5-azaspiro[2.4]heptane-7-carboxylate is sourced from PubChem (CID 167824012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).