(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one

C26H27N3O3 — CID 95812013

IUPAC(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(O[C@H](C)C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccnc3)c2)cc1
InChIInChI=1S/C26H27N3O3/c1-18-8-10-23(11-9-18)32-19(2)26(31)29-14-13-28-25(30)24(29)16-20-5-3-6-21(15-20)22-7-4-12-27-17-22/h3-12,15,17,19,24H,13-14,16H2,1-2H3,(H,28,30)/t19-,24-/m1/s1
InChIKeyUUMYKXGODWRCHE-NTKDMRAZSA-N
MW429.52 g/mol
LogP3.39
Rot. Bonds6

About (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one

(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one (PubChem CID 95812013) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
PubChem CID95812013
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(O[C@H](C)C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccnc3)c2)cc1
InChIInChI=1S/C26H27N3O3/c1-18-8-10-23(11-9-18)32-19(2)26(31)29-14-13-28-25(30)24(29)16-20-5-3-6-21(15-20)22-7-4-12-27-17-22/h3-12,15,17,19,24H,13-14,16H2,1-2H3,(H,28,30)/t19-,24-/m1/s1
InChIKeyUUMYKXGODWRCHE-NTKDMRAZSA-N
XLogP3.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one (CID 95812013) is (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one is Cc1ccc(O[C@H](C)C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccnc3)c2)cc1.
What is the InChIKey of (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The InChIKey is UUMYKXGODWRCHE-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-8-10-23(11-9-18)32-19(2)26(31)29-14-13-28-25(30)24(29)16-20-5-3-6-21(15-20)22-7-4-12-27-17-22/h3-12,15,17,19,24H,13-14,16H2,1-2H3,(H,28,30)/t19-,24-/m1/s1.
What are the key properties of (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
(3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one has a molecular weight of 429.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2R)-2-(4-methylphenoxy)propanoyl]-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 95812013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).