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

C21H30N4O3 — CID 70783120

IUPAC2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C21H30N4O3/c1-15-22-12-16(20(28)23-15)11-19(27)24-10-4-8-21(13-24)9-7-18(26)25(14-21)17-5-2-3-6-17/h12,17H,2-11,13-14H2,1H3,(H,22,23,28)
InChIKeyGXUSAGLXOXGVBZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.79
Rot. Bonds3

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

2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70783120) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70783120
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C21H30N4O3/c1-15-22-12-16(20(28)23-15)11-19(27)24-10-4-8-21(13-24)9-7-18(26)25(14-21)17-5-2-3-6-17/h12,17H,2-11,13-14H2,1H3,(H,22,23,28)
InChIKeyGXUSAGLXOXGVBZ-UHFFFAOYSA-N
XLogP1.79
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethyl)-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72841912
2-Cyclopropyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72926419
(4aS*,8aR*)-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906413
(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1,4'-bipiperidine-3-carboxamide
CID 56869953
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-Cyclopentyl-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70709111
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-(2-Hydroxyethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70754587
2-(Cyclopropylmethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70758504

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70783120) is 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1ncc(CC(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GXUSAGLXOXGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15-22-12-16(20(28)23-15)11-19(27)24-10-4-8-21(13-24)9-7-18(26)25(14-21)17-5-2-3-6-17/h12,17H,2-11,13-14H2,1H3,(H,22,23,28).
What are the key properties of 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.50 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70783120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).