2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H28N4O3 — CID 70724597

IUPAC2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(C(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O3/c1-14-21-11-16(18(26)22-14)19(27)23-10-4-8-20(12-23)9-7-17(25)24(13-20)15-5-2-3-6-15/h11,15H,2-10,12-13H2,1H3,(H,21,22,26)
InChIKeyXDKOOGNKVYSWGO-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.87
Rot. Bonds2

About 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70724597) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70724597
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(C(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O3/c1-14-21-11-16(18(26)22-14)19(27)23-10-4-8-20(12-23)9-7-17(25)24(13-20)15-5-2-3-6-15/h11,15H,2-10,12-13H2,1H3,(H,21,22,26)
InChIKeyXDKOOGNKVYSWGO-UHFFFAOYSA-N
XLogP1.87
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70724597) is 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ncc(C(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is XDKOOGNKVYSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-21-11-16(18(26)22-14)19(27)23-10-4-8-20(12-23)9-7-17(25)24(13-20)15-5-2-3-6-15/h11,15H,2-10,12-13H2,1H3,(H,21,22,26).
What are the key properties of 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.47 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70724597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).