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

C18H28N4O2 — CID 70720020

IUPAC9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(CC(C)O)CC3)cn1
InChIInChI=1S/C18H28N4O2/c1-14-9-20-16(10-19-14)12-22-13-18(4-3-17(22)24)5-7-21(8-6-18)11-15(2)23/h9-10,15,23H,3-8,11-13H2,1-2H3
InChIKeyUTYPASZWMFFNOH-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.37
Rot. Bonds4

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

9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70720020) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70720020
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(CC(C)O)CC3)cn1
InChIInChI=1S/C18H28N4O2/c1-14-9-20-16(10-19-14)12-22-13-18(4-3-17(22)24)5-7-21(8-6-18)11-15(2)23/h9-10,15,23H,3-8,11-13H2,1-2H3
InChIKeyUTYPASZWMFFNOH-UHFFFAOYSA-N
XLogP1.37
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97117283
9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72898064
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
9-(2-ethoxypropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72906516
2-[(5-methylpyrazin-2-yl)methyl]-9-(3,3,3-trifluoropropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843660
9-[(2R)-2-methoxybutanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97144835
9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72918023
9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 154898184
8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70778789
3-[[2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70780252
9-[(2S)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127930

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70720020) is 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(CC(C)O)CC3)cn1.
What is the InChIKey of 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UTYPASZWMFFNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-9-20-16(10-19-14)12-22-13-18(4-3-17(22)24)5-7-21(8-6-18)11-15(2)23/h9-10,15,23H,3-8,11-13H2,1-2H3.
What are the key properties of 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxypropyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70720020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).