9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H31N3O3 — CID 72872755

IUPAC9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCOC(C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-3-13-27-17(2)20(26)23-11-8-21(9-12-23)7-6-19(25)24(16-21)15-18-5-4-10-22-14-18/h4-5,10,14,17H,3,6-9,11-13,15-16H2,1-2H3
InChIKeyQZDRUAIVSMTVPR-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.63
Rot. Bonds6

About 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72872755) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72872755
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCOC(C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-3-13-27-17(2)20(26)23-11-8-21(9-12-23)7-6-19(25)24(16-21)15-18-5-4-10-22-14-18/h4-5,10,14,17H,3,6-9,11-13,15-16H2,1-2H3
InChIKeyQZDRUAIVSMTVPR-UHFFFAOYSA-N
XLogP2.63
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2S)-2-amino-3-hydroxypropanoyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72879649
2-(pyridin-3-ylmethyl)-9-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97129899
9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
9-[(2S)-2-aminobutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154898118
9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122526
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
9-ethylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155840778
9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72906516
(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869220
N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]acetamide
CID 70732798
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355

Frequently Asked Questions

What is the IUPAC name of 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72872755) is 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCCOC(C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1.
What is the InChIKey of 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QZDRUAIVSMTVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-13-27-17(2)20(26)23-11-8-21(9-12-23)7-6-19(25)24(16-21)15-18-5-4-10-22-14-18/h4-5,10,14,17H,3,6-9,11-13,15-16H2,1-2H3.
What are the key properties of 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72872755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).