2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one

C23H38N4O3 — CID 97259917

IUPAC2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H38N4O3/c1-17(2)20(28)27-9-5-4-6-19(27)22(30)25-10-7-23(8-11-25)16-18(23)21(29)26-14-12-24(3)13-15-26/h17-19H,4-16H2,1-3H3/t18-,19+/m0/s1
InChIKeyLOGLJDQNZIOTAW-RBUKOAKNSA-N
MW418.58 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one

2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 97259917) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID97259917
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC Name2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H38N4O3/c1-17(2)20(28)27-9-5-4-6-19(27)22(30)25-10-7-23(8-11-25)16-18(23)21(29)26-14-12-24(3)13-15-26/h17-19H,4-16H2,1-3H3/t18-,19+/m0/s1
InChIKeyLOGLJDQNZIOTAW-RBUKOAKNSA-N
XLogP1.43
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one (CID 97259917) is 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is LOGLJDQNZIOTAW-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-17(2)20(28)27-9-5-4-6-19(27)22(30)25-10-7-23(8-11-25)16-18(23)21(29)26-14-12-24(3)13-15-26/h17-19H,4-16H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 418.58 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97259917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).