(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one

C25H33N3O2 — CID 59159247

IUPAC(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one
SMILESC[C@H]1C(=O)N(CCCN2CCC3(CC3)[C@H](O)C2)CCN1c1ccc2ccccc2c1
InChIInChI=1S/C25H33N3O2/c1-19-24(30)27(13-4-12-26-14-11-25(9-10-25)23(29)18-26)15-16-28(19)22-8-7-20-5-2-3-6-21(20)17-22/h2-3,5-8,17,19,23,29H,4,9-16,18H2,1H3/t19-,23+/m0/s1
InChIKeySINPGOMDUZBSPN-WMZHIEFXSA-N
MW407.56 g/mol
LogP3.11
Rot. Bonds5

About (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one

(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one (PubChem CID 59159247) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one
PubChem CID59159247
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one
SMILESC[C@H]1C(=O)N(CCCN2CCC3(CC3)[C@H](O)C2)CCN1c1ccc2ccccc2c1
InChIInChI=1S/C25H33N3O2/c1-19-24(30)27(13-4-12-26-14-11-25(9-10-25)23(29)18-26)15-16-28(19)22-8-7-20-5-2-3-6-21(20)17-22/h2-3,5-8,17,19,23,29H,4,9-16,18H2,1H3/t19-,23+/m0/s1
InChIKeySINPGOMDUZBSPN-WMZHIEFXSA-N
XLogP3.11
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one?
The IUPAC name of (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one (CID 59159247) is (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one.
What is the SMILES notation for (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one?
The canonical SMILES for (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one is C[C@H]1C(=O)N(CCCN2CCC3(CC3)[C@H](O)C2)CCN1c1ccc2ccccc2c1.
What is the InChIKey of (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one?
The InChIKey is SINPGOMDUZBSPN-WMZHIEFXSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-24(30)27(13-4-12-26-14-11-25(9-10-25)23(29)18-26)15-16-28(19)22-8-7-20-5-2-3-6-21(20)17-22/h2-3,5-8,17,19,23,29H,4,9-16,18H2,1H3/t19-,23+/m0/s1.
What are the key properties of (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one?
(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one has a molecular weight of 407.56 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one is sourced from PubChem (CID 59159247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).