4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C23H33N3O3 — CID 42882206

IUPAC4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NCCc1ccccn1)N2C(=O)C1CCCC1
InChIInChI=1S/C23H33N3O3/c1-17-9-12-23(13-10-17)26(22(28)18-6-2-3-7-18)20(16-29-23)21(27)25-15-11-19-8-4-5-14-24-19/h4-5,8,14,17-18,20H,2-3,6-7,9-13,15-16H2,1H3,(H,25,27)
InChIKeyWPXRGVWSTZMKOV-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.06
Rot. Bonds5

About 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 42882206) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID42882206
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)NCCc1ccccn1)N2C(=O)C1CCCC1
InChIInChI=1S/C23H33N3O3/c1-17-9-12-23(13-10-17)26(22(28)18-6-2-3-7-18)20(16-29-23)21(27)25-15-11-19-8-4-5-14-24-19/h4-5,8,14,17-18,20H,2-3,6-7,9-13,15-16H2,1H3,(H,25,27)
InChIKeyWPXRGVWSTZMKOV-UHFFFAOYSA-N
XLogP3.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83285217
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
(3S)-8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136792
N-(2-pyridin-2-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
CID 126830265
(3S,5S,7R)-4-(cyclopentanecarbonyl)-7-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 99768198
4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42820110
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone
CID 42882205
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 42882206) is 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC1CCC2(CC1)OCC(C(=O)NCCc1ccccn1)N2C(=O)C1CCCC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is WPXRGVWSTZMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17-9-12-23(13-10-17)26(22(28)18-6-2-3-7-18)20(16-29-23)21(27)25-15-11-19-8-4-5-14-24-19/h4-5,8,14,17-18,20H,2-3,6-7,9-13,15-16H2,1H3,(H,25,27).
What are the key properties of 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42882206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).