(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O — CID 97200571

IUPAC(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C)c(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
InChIInChI=1S/C19H28N4O/c1-14-11-20-15(2)17(21-14)23-10-8-19(13-23)7-4-9-22(18(19)24)12-16-5-3-6-16/h11,16H,3-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyUIECFDXCNMKVOR-IBGZPJMESA-N
MW328.46 g/mol
LogP2.71
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97200571) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97200571
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C)c(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
InChIInChI=1S/C19H28N4O/c1-14-11-20-15(2)17(21-14)23-10-8-19(13-23)7-4-9-22(18(19)24)12-16-5-3-6-16/h11,16H,3-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyUIECFDXCNMKVOR-IBGZPJMESA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97200571) is (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cnc(C)c(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UIECFDXCNMKVOR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-11-20-15(2)17(21-14)23-10-8-19(13-23)7-4-9-22(18(19)24)12-16-5-3-6-16/h11,16H,3-10,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 328.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97200571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).