3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

C22H35N3O2 — CID 45240983

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
SMILESCCN1CCN(CC2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1
InChIInChI=1S/C22H35N3O2/c1-4-23-12-14-24(15-13-23)17-22(27)10-5-11-25(21(22)26)16-19-6-8-20(9-7-19)18(2)3/h6-9,18,27H,4-5,10-17H2,1-3H3
InChIKeyMOTNQGWLRXXKJB-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.30
Rot. Bonds6

About 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one

3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 45240983) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
PubChem CID45240983
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
SMILESCCN1CCN(CC2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1
InChIInChI=1S/C22H35N3O2/c1-4-23-12-14-24(15-13-23)17-22(27)10-5-11-25(21(22)26)16-19-6-8-20(9-7-19)18(2)3/h6-9,18,27H,4-5,10-17H2,1-3H3
InChIKeyMOTNQGWLRXXKJB-UHFFFAOYSA-N
XLogP2.30
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one (CID 45240983) is 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is CCN1CCN(CC2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?
The InChIKey is MOTNQGWLRXXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-4-23-12-14-24(15-13-23)17-22(27)10-5-11-25(21(22)26)16-19-6-8-20(9-7-19)18(2)3/h6-9,18,27H,4-5,10-17H2,1-3H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one?
3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 373.54 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 45240983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).