N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

C22H28N4O4 — CID 9390386

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C22H28N4O4/c1-15-7-3-4-8-17(15)19(28)25-13-9-16(10-14-25)18(27)24-26-20(29)22(23-21(26)30)11-5-2-6-12-22/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,23,30)(H,24,27)
InChIKeyBUQIREBELBVWIB-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.13
Rot. Bonds3

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 9390386) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID9390386
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C22H28N4O4/c1-15-7-3-4-8-17(15)19(28)25-13-9-16(10-14-25)18(27)24-26-20(29)22(23-21(26)30)11-5-2-6-12-22/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,23,30)(H,24,27)
InChIKeyBUQIREBELBVWIB-UHFFFAOYSA-N
XLogP2.13
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 9390386) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is BUQIREBELBVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-7-3-4-8-17(15)19(28)25-13-9-16(10-14-25)18(27)24-26-20(29)22(23-21(26)30)11-5-2-6-12-22/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,23,30)(H,24,27).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 9390386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).