1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one

C22H28N4O2 — CID 131891825

IUPAC1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
SMILESCc1cncc(N2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)n1
InChIInChI=1S/C22H28N4O2/c1-18-15-23-16-20(24-18)26-13-14-28-22(17-26)9-11-25(12-10-22)21(27)8-7-19-5-3-2-4-6-19/h2-6,15-16H,7-14,17H2,1H3
InChIKeyGIDHGZCOFJQVSW-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one

1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one (PubChem CID 131891825) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
PubChem CID131891825
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
SMILESCc1cncc(N2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)n1
InChIInChI=1S/C22H28N4O2/c1-18-15-23-16-20(24-18)26-13-14-28-22(17-26)9-11-25(12-10-22)21(27)8-7-19-5-3-2-4-6-19/h2-6,15-16H,7-14,17H2,1H3
InChIKeyGIDHGZCOFJQVSW-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-methylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 131919477
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131682087
1-[9-(2-ethyl-6-methylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-phenylethanone
CID 131913030
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
3-phenyl-1-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 125462444
1-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-3-phenylpropan-1-one
CID 69328574
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one (CID 131891825) is 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one is Cc1cncc(N2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)n1.
What is the InChIKey of 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
The InChIKey is GIDHGZCOFJQVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-18-15-23-16-20(24-18)26-13-14-28-22(17-26)9-11-25(12-10-22)21(27)8-7-19-5-3-2-4-6-19/h2-6,15-16H,7-14,17H2,1H3.
What are the key properties of 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one has a molecular weight of 380.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 131891825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).