2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C17H30N4O2 — CID 72856229

IUPAC2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C17H30N4O2/c1-3-7-19-8-4-5-17(15(19)22)6-9-21(14-17)16(23)20-12-10-18(2)11-13-20/h3-14H2,1-2H3
InChIKeyZWSRULSHDXZEOK-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.08
Rot. Bonds2

About 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72856229) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72856229
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C17H30N4O2/c1-3-7-19-8-4-5-17(15(19)22)6-9-21(14-17)16(23)20-12-10-18(2)11-13-20/h3-14H2,1-2H3
InChIKeyZWSRULSHDXZEOK-UHFFFAOYSA-N
XLogP1.08
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72856229) is 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(C(=O)N3CCN(C)CC3)C2)C1=O.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZWSRULSHDXZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-3-7-19-8-4-5-17(15(19)22)6-9-21(14-17)16(23)20-12-10-18(2)11-13-20/h3-14H2,1-2H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 322.45 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72856229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).