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

C17H26N4O4 — CID 94457732

IUPAC(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2=O
InChIInChI=1S/C17H26N4O4/c1-11-4-6-17(7-5-11)15(24)21(16(25)19-17)10-13(22)20-8-2-3-12(9-20)14(18)23/h11-12H,2-10H2,1H3,(H2,18,23)(H,19,25)/t11?,12-,17?/m1/s1
InChIKeyNXTIMQCMYDYLEN-VMBJYNEYSA-N
MW350.42 g/mol
LogP0.21
Rot. Bonds3

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

(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 94457732) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID94457732
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2=O
InChIInChI=1S/C17H26N4O4/c1-11-4-6-17(7-5-11)15(24)21(16(25)19-17)10-13(22)20-8-2-3-12(9-20)14(18)23/h11-12H,2-10H2,1H3,(H2,18,23)(H,19,25)/t11?,12-,17?/m1/s1
InChIKeyNXTIMQCMYDYLEN-VMBJYNEYSA-N
XLogP0.21
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 95312944
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119593328
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
(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-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120814508
1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
CID 49063313
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119373441
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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide (CID 94457732) is (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide is CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2=O.
What is the InChIKey of (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is NXTIMQCMYDYLEN-VMBJYNEYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11-4-6-17(7-5-11)15(24)21(16(25)19-17)10-13(22)20-8-2-3-12(9-20)14(18)23/h11-12H,2-10H2,1H3,(H2,18,23)(H,19,25)/t11?,12-,17?/m1/s1.
What are the key properties of (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide?
(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94457732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).