(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one

C25H35N3O3 — CID 92633607

IUPAC(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C25H35N3O3/c1-2-21-23(30)26-14-17-28(21)22(29)18-19-10-15-27(16-11-19)24(31)25(12-6-7-13-25)20-8-4-3-5-9-20/h3-5,8-9,19,21H,2,6-7,10-18H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeyTUKQPMXHKZDBFU-OAQYLSRUSA-N
MW425.57 g/mol
LogP2.86
Rot. Bonds5

About (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one

(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one (PubChem CID 92633607) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one
PubChem CID92633607
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C25H35N3O3/c1-2-21-23(30)26-14-17-28(21)22(29)18-19-10-15-27(16-11-19)24(31)25(12-6-7-13-25)20-8-4-3-5-9-20/h3-5,8-9,19,21H,2,6-7,10-18H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeyTUKQPMXHKZDBFU-OAQYLSRUSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one (CID 92633607) is (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one is CC[C@@H]1C(=O)NCCN1C(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1.
What is the InChIKey of (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one?
The InChIKey is TUKQPMXHKZDBFU-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-2-21-23(30)26-14-17-28(21)22(29)18-19-10-15-27(16-11-19)24(31)25(12-6-7-13-25)20-8-4-3-5-9-20/h3-5,8-9,19,21H,2,6-7,10-18H2,1H3,(H,26,30)/t21-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one?
(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one has a molecular weight of 425.57 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 92633607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).