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

C19H26N4O3 — CID 70709111

IUPAC2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C19H26N4O3/c24-16-6-8-19(12-23(16)14-4-1-2-5-14)7-3-9-22(11-19)18(26)15-10-20-13-21-17(15)25/h10,13-14H,1-9,11-12H2,(H,20,21,25)
InChIKeyVLUXZDZTKLYGLA-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.56
Rot. Bonds2

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

2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70709111) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70709111
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C19H26N4O3/c24-16-6-8-19(12-23(16)14-4-1-2-5-14)7-3-9-22(11-19)18(26)15-10-20-13-21-17(15)25/h10,13-14H,1-9,11-12H2,(H,20,21,25)
InChIKeyVLUXZDZTKLYGLA-UHFFFAOYSA-N
XLogP1.56
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
2-(Cyclopropylmethyl)-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70786023
2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one;methane
CID 157680862
5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 56918421
2-(3-Methoxypropyl)-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70708543
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-Cyclopropyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727533
2-(Cyclopropylmethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70758504
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70783120
2-Ethyl-9-[(6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869529
2-Ethyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72918710
2-(3-Methoxypropyl)-9-[(6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72933032

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70709111) is 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C(c1cnc[nH]c1=O)N1CCCC2(CCC(=O)N(C3CCCC3)C2)C1.
What is the InChIKey of 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VLUXZDZTKLYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-16-6-8-19(12-23(16)14-4-1-2-5-14)7-3-9-22(11-19)18(26)15-10-20-13-21-17(15)25/h10,13-14H,1-9,11-12H2,(H,20,21,25).
What are the key properties of 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70709111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).