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

C18H24N4O3 — CID 97141111

IUPAC(5S)-7-(cyclopropylmethyl)-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(CC3CC3)C2=O)C1
InChIInChI=1S/C18H24N4O3/c23-15(8-14-9-19-12-20-16(14)24)22-7-5-18(11-22)4-1-6-21(17(18)25)10-13-2-3-13/h9,12-13H,1-8,10-11H2,(H,19,20,24)/t18-/m0/s1
InChIKeyNWFZJELSVZWURR-SFHVURJKSA-N
MW344.42 g/mol
LogP0.56
Rot. Bonds4

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

(5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97141111) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97141111
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5S)-7-(cyclopropylmethyl)-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(CC3CC3)C2=O)C1
InChIInChI=1S/C18H24N4O3/c23-15(8-14-9-19-12-20-16(14)24)22-7-5-18(11-22)4-1-6-21(17(18)25)10-13-2-3-13/h9,12-13H,1-8,10-11H2,(H,19,20,24)/t18-/m0/s1
InChIKeyNWFZJELSVZWURR-SFHVURJKSA-N
XLogP0.56
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97141111) is (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-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(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NWFZJELSVZWURR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-15(8-14-9-19-12-20-16(14)24)22-7-5-18(11-22)4-1-6-21(17(18)25)10-13-2-3-13/h9,12-13H,1-8,10-11H2,(H,19,20,24)/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97141111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).