1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C25H35N5O4 — CID 55970040

IUPAC1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccn3)CC1)C2=O
InChIInChI=1S/C25H35N5O4/c1-24(2,3)18-7-11-25(12-8-18)22(33)30(23(34)28-25)16-20(31)29-14-9-17(10-15-29)21(32)27-19-6-4-5-13-26-19/h4-6,13,17-18H,7-12,14-16H2,1-3H3,(H,28,34)(H,26,27,32)
InChIKeyAYCCWELEOTVULU-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55970040) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55970040
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccn3)CC1)C2=O
InChIInChI=1S/C25H35N5O4/c1-24(2,3)18-7-11-25(12-8-18)22(33)30(23(34)28-25)16-20(31)29-14-9-17(10-15-29)21(32)27-19-6-4-5-13-26-19/h4-6,13,17-18H,7-12,14-16H2,1-3H3,(H,28,34)(H,26,27,32)
InChIKeyAYCCWELEOTVULU-UHFFFAOYSA-N
XLogP2.79
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.79
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-benzyl-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 33100935
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120820292
8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46555321
3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18145950
(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 26012258
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
(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
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55970040) is 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccn3)CC1)C2=O.
What is the InChIKey of 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is AYCCWELEOTVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-24(2,3)18-7-11-25(12-8-18)22(33)30(23(34)28-25)16-20(31)29-14-9-17(10-15-29)21(32)27-19-6-4-5-13-26-19/h4-6,13,17-18H,7-12,14-16H2,1-3H3,(H,28,34)(H,26,27,32).
What are the key properties of 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55970040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).