8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one

C20H29N5O2 — CID 131683728

IUPAC8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one
SMILESO=C(CCc1cncnc1)N1CCCC2(C1)CN(CCN1CCCC1)C2=O
InChIInChI=1S/C20H29N5O2/c26-18(5-4-17-12-21-16-22-13-17)24-9-3-6-20(14-24)15-25(19(20)27)11-10-23-7-1-2-8-23/h12-13,16H,1-11,14-15H2
InChIKeyXYKSMRASTMZSBP-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.96
Rot. Bonds6

About 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one

8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one (PubChem CID 131683728) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one
PubChem CID131683728
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one
SMILESO=C(CCc1cncnc1)N1CCCC2(C1)CN(CCN1CCCC1)C2=O
InChIInChI=1S/C20H29N5O2/c26-18(5-4-17-12-21-16-22-13-17)24-9-3-6-20(14-24)15-25(19(20)27)11-10-23-7-1-2-8-23/h12-13,16H,1-11,14-15H2
InChIKeyXYKSMRASTMZSBP-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(pyrazine-2-carbonyl)-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134076269
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(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(3-pyrimidin-5-ylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687935
3-methyl-1-(3-pyrimidin-5-ylpropanoyl)azetidine-3-carboxylic acid
CID 167921042
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CID 97156965
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(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117487
(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97151866
3-pyrimidin-5-yl-1-[3-(1,2,4-triazol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]propan-1-one
CID 131688667
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
1-[8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-pyrimidin-5-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one (CID 131683728) is 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one is O=C(CCc1cncnc1)N1CCCC2(C1)CN(CCN1CCCC1)C2=O.
What is the InChIKey of 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one?
The InChIKey is XYKSMRASTMZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-18(5-4-17-12-21-16-22-13-17)24-9-3-6-20(14-24)15-25(19(20)27)11-10-23-7-1-2-8-23/h12-13,16H,1-11,14-15H2.
What are the key properties of 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one?
8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one has a molecular weight of 371.49 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyrimidin-5-ylpropanoyl)-2-(2-pyrrolidin-1-ylethyl)-2,8-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 131683728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).