formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C24H31N3O6 — CID 172897382

IUPACformic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)CC(CN1CCC(O)CC1)OC2=O.O=CO
InChIInChI=1S/C23H29N3O4.CH2O2/c27-18-4-9-25(10-5-18)15-19-14-23(22(29)30-19)6-11-26(12-7-23)21(28)17-1-2-20-16(13-17)3-8-24-20;2-1-3/h1-3,8,13,18-19,24,27H,4-7,9-12,14-15H2;1H,(H,2,3)
InChIKeyIWXVMQQNPPOCOM-UHFFFAOYSA-N
MW457.53 g/mol
LogP1.86
Rot. Bonds3

About formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172897382) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Nameformic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172897382
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Nameformic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)CC(CN1CCC(O)CC1)OC2=O.O=CO
InChIInChI=1S/C23H29N3O4.CH2O2/c27-18-4-9-25(10-5-18)15-19-14-23(22(29)30-19)6-11-26(12-7-23)21(28)17-1-2-20-16(13-17)3-8-24-20;2-1-3/h1-3,8,13,18-19,24,27H,4-7,9-12,14-15H2;1H,(H,2,3)
InChIKeyIWXVMQQNPPOCOM-UHFFFAOYSA-N
XLogP1.86
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

formic acid;8-(2-hydroxy-4-methylbenzoyl)-3-[(4-hydroxypiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172910485
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methylthiophene-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172913400
8-(3-chloro-5-fluorobenzoyl)-3-[(4-hydroxypiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 175643761
formic acid;8-(3-hydroxybenzoyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172912463
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(isoquinoline-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172912174
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172910232
7-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]-4H-1,4-benzoxazin-3-one;formic acid
CID 172912347
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-8-(imidazo[1,2-a]pyridine-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 176504885
8-(5-chlorofuran-2-carbonyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172668170
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
8-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172655687
1H-indol-6-yl-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 138386314

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172897382) is formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)CC(CN1CCC(O)CC1)OC2=O.O=CO.
What is the InChIKey of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is IWXVMQQNPPOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.CH2O2/c27-18-4-9-25(10-5-18)15-19-14-23(22(29)30-19)6-11-26(12-7-23)21(28)17-1-2-20-16(13-17)3-8-24-20;2-1-3/h1-3,8,13,18-19,24,27H,4-7,9-12,14-15H2;1H,(H,2,3).
What are the key properties of formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 457.53 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(1H-indole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172897382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).