1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C24H33N5O4 — CID 55810056

IUPAC1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C(=O)Nc3ccc(C)cn3)C1)C2=O
InChIInChI=1S/C24H33N5O4/c1-3-17-8-10-24(11-9-17)22(32)29(23(33)27-24)15-20(30)28-12-4-5-18(14-28)21(31)26-19-7-6-16(2)13-25-19/h6-7,13,17-18H,3-5,8-12,14-15H2,1-2H3,(H,27,33)(H,25,26,31)
InChIKeyBYPPARFIVHFNRK-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55810056) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55810056
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C(=O)Nc3ccc(C)cn3)C1)C2=O
InChIInChI=1S/C24H33N5O4/c1-3-17-8-10-24(11-9-17)22(32)29(23(33)27-24)15-20(30)28-12-4-5-18(14-28)21(31)26-19-7-6-16(2)13-25-19/h6-7,13,17-18H,3-5,8-12,14-15H2,1-2H3,(H,27,33)(H,25,26,31)
InChIKeyBYPPARFIVHFNRK-UHFFFAOYSA-N
XLogP2.46
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55751534
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
(3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 52518493
(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
CID 94457732
8-ethyl-3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119544004
1-(4-methoxypiperidine-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119855248
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021540
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
(3R)-1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51960930

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55810056) is 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C(=O)Nc3ccc(C)cn3)C1)C2=O.
What is the InChIKey of 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BYPPARFIVHFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-3-17-8-10-24(11-9-17)22(32)29(23(33)27-24)15-20(30)28-12-4-5-18(14-28)21(31)26-19-7-6-16(2)13-25-19/h6-7,13,17-18H,3-5,8-12,14-15H2,1-2H3,(H,27,33)(H,25,26,31).
What are the key properties of 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55810056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).