1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide

C20H33N3O4 — CID 55859946

IUPAC1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1
InChIInChI=1S/C20H33N3O4/c1-2-27-13-5-10-21-18(25)16-6-11-22(12-7-16)15-23-17(24)14-20(19(23)26)8-3-4-9-20/h16H,2-15H2,1H3,(H,21,25)
InChIKeyJYXCQOWKDDZWPA-UHFFFAOYSA-N
MW379.50 g/mol
LogP1.52
Rot. Bonds8

About 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 55859946) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID55859946
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1
InChIInChI=1S/C20H33N3O4/c1-2-27-13-5-10-21-18(25)16-6-11-22(12-7-16)15-23-17(24)14-20(19(23)26)8-3-4-9-20/h16H,2-15H2,1H3,(H,21,25)
InChIKeyJYXCQOWKDDZWPA-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 119288007
N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119930228
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
CID 86985142
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55852879
N-(3-ethoxypropyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497537
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 55859946) is 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1.
What is the InChIKey of 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is JYXCQOWKDDZWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-2-27-13-5-10-21-18(25)16-6-11-22(12-7-16)15-23-17(24)14-20(19(23)26)8-3-4-9-20/h16H,2-15H2,1H3,(H,21,25).
What are the key properties of 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55859946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).