1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione

C17H24N4O4 — CID 97109901

IUPAC1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
SMILESCCCN1CCC[C@@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C17H24N4O4/c1-2-7-19-8-3-5-17(15(19)24)6-10-21(12-17)14(23)11-20-9-4-13(22)18-16(20)25/h4,9H,2-3,5-8,10-12H2,1H3,(H,18,22,25)/t17-/m0/s1
InChIKeyOASNIXSNLVFXIE-KRWDZBQOSA-N
MW348.40 g/mol
LogP-0.21
Rot. Bonds4

About 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione

1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 97109901) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
PubChem CID97109901
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
SMILESCCCN1CCC[C@@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C17H24N4O4/c1-2-7-19-8-3-5-17(15(19)24)6-10-21(12-17)14(23)11-20-9-4-13(22)18-16(20)25/h4,9H,2-3,5-8,10-12H2,1H3,(H,18,22,25)/t17-/m0/s1
InChIKeyOASNIXSNLVFXIE-KRWDZBQOSA-N
XLogP-0.21
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97141632
1-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]pyrimidine-2,4-dione
CID 72908248
(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97133028
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304
(5S)-2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156605
4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
CID 97140833
(5S)-2-[1-(2-fluorophenyl)cyclopropanecarbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97147264
3-[3-oxo-3-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)propyl]-1H-benzimidazol-2-one
CID 175640993
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 135090068
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
(5R)-2-[2-(benzotriazol-2-yl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95722632

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione (CID 97109901) is 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione is CCCN1CCC[C@@]2(CCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1=O.
What is the InChIKey of 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is OASNIXSNLVFXIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-2-7-19-8-3-5-17(15(19)24)6-10-21(12-17)14(23)11-20-9-4-13(22)18-16(20)25/h4,9H,2-3,5-8,10-12H2,1H3,(H,18,22,25)/t17-/m0/s1.
What are the key properties of 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione?
1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 97109901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).