(5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C19H26N4O3 — CID 97128185

IUPAC(5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C19H26N4O3/c24-16(10-14-11-20-13-21-17(14)25)22-9-7-19(12-22)6-3-8-23(18(19)26)15-4-1-2-5-15/h11,13,15H,1-10,12H2,(H,20,21,25)/t19-/m1/s1
InChIKeyCSWKUEHAXQCUKA-LJQANCHMSA-N
MW358.44 g/mol
LogP1.10
Rot. Bonds3

About (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97128185) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97128185
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C19H26N4O3/c24-16(10-14-11-20-13-21-17(14)25)22-9-7-19(12-22)6-3-8-23(18(19)26)15-4-1-2-5-15/h11,13,15H,1-10,12H2,(H,20,21,25)/t19-/m1/s1
InChIKeyCSWKUEHAXQCUKA-LJQANCHMSA-N
XLogP1.10
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97128185) is (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1.
What is the InChIKey of (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CSWKUEHAXQCUKA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-16(10-14-11-20-13-21-17(14)25)22-9-7-19(12-22)6-3-8-23(18(19)26)15-4-1-2-5-15/h11,13,15H,1-10,12H2,(H,20,21,25)/t19-/m1/s1.
What are the key properties of (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-cyclopentyl-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97128185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).