9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H30N4O3 — CID 72906516

IUPAC9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOC(C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1
InChIInChI=1S/C20H30N4O3/c1-4-27-16(3)19(26)23-9-7-20(8-10-23)6-5-18(25)24(14-20)13-17-12-21-15(2)11-22-17/h11-12,16H,4-10,13-14H2,1-3H3
InChIKeyPXHXCRMWOXICRH-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.94
Rot. Bonds5

About 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72906516) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72906516
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOC(C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1
InChIInChI=1S/C20H30N4O3/c1-4-27-16(3)19(26)23-9-7-20(8-10-23)6-5-18(25)24(14-20)13-17-12-21-15(2)11-22-17/h11-12,16H,4-10,13-14H2,1-3H3
InChIKeyPXHXCRMWOXICRH-UHFFFAOYSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(2R)-2-methoxybutanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97144835
9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72898064
9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 154898184
9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70720020
9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97117283
2-[(5-methylpyrazin-2-yl)methyl]-9-(3,3,3-trifluoropropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843660
N,N-dimethyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]propanamide
CID 70712072
N-ethyl-N-methyl-2-[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 70766942
2-[(5-methylpyrazin-2-yl)methyl]-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72862601
9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850711
9-(1,2-dimethylpyrrole-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72840790
9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127931

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72906516) is 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCOC(C)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1.
What is the InChIKey of 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PXHXCRMWOXICRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-27-16(3)19(26)23-9-7-20(8-10-23)6-5-18(25)24(14-20)13-17-12-21-15(2)11-22-17/h11-12,16H,4-10,13-14H2,1-3H3.
What are the key properties of 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72906516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).