[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride

C19H28ClN5O2 — CID 154888814

IUPAC[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1nccnc1C(=O)N1CCC2(CCCNC2)C1)N1CCCCC1
InChIInChI=1S/C19H27N5O2.ClH/c25-17(23-10-2-1-3-11-23)15-16(22-9-8-21-15)18(26)24-12-6-19(14-24)5-4-7-20-13-19;/h8-9,20H,1-7,10-14H2;1H
InChIKeyJJJVOGBRKVSRDC-UHFFFAOYSA-N
MW393.92 g/mol
LogP1.74
Rot. Bonds2

About [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride

[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 154888814) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID154888814
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1nccnc1C(=O)N1CCC2(CCCNC2)C1)N1CCCCC1
InChIInChI=1S/C19H27N5O2.ClH/c25-17(23-10-2-1-3-11-23)15-16(22-9-8-21-15)18(26)24-12-6-19(14-24)5-4-7-20-13-19;/h8-9,20H,1-7,10-14H2;1H
InChIKeyJJJVOGBRKVSRDC-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride (CID 154888814) is [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride is Cl.O=C(c1nccnc1C(=O)N1CCC2(CCCNC2)C1)N1CCCCC1.
What is the InChIKey of [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is JJJVOGBRKVSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c25-17(23-10-2-1-3-11-23)15-16(22-9-8-21-15)18(26)24-12-6-19(14-24)5-4-7-20-13-19;/h8-9,20H,1-7,10-14H2;1H.
What are the key properties of [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride?
[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 154888814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).