(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H26N4O2 — CID 25280748

IUPAC(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-14-10-21-16(11-20-14)17(24)23-9-7-19(13-23)6-3-8-22(18(19)25)12-15-4-2-5-15/h10-11,15H,2-9,12-13H2,1H3/t19-/m0/s1
InChIKeyMTXWUVSMSWRVGG-IBGZPJMESA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25280748) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25280748
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cn1
InChIInChI=1S/C19H26N4O2/c1-14-10-21-16(11-20-14)17(24)23-9-7-19(13-23)6-3-8-22(18(19)25)12-15-4-2-5-15/h10-11,15H,2-9,12-13H2,1H3/t19-/m0/s1
InChIKeyMTXWUVSMSWRVGG-IBGZPJMESA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
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-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25280748) is (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cnc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cn1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MTXWUVSMSWRVGG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-10-21-16(11-20-14)17(24)23-9-7-19(13-23)6-3-8-22(18(19)25)12-15-4-2-5-15/h10-11,15H,2-9,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.44 g/mol, XLogP of 2.04, 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-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25280748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).