1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one

C17H24N4O3 — CID 95334948

IUPAC1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)N1CCNC1=O
InChIInChI=1S/C17H24N4O3/c22-15(14-4-2-1-3-5-14)12-19-8-10-20(11-9-19)13-16(23)21-7-6-18-17(21)24/h1-5,15,22H,6-13H2,(H,18,24)/t15-/m0/s1
InChIKeyXZYJPLHJDHFBII-HNNXBMFYSA-N
MW332.40 g/mol
LogP-0.11
Rot. Bonds5

About 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 95334948) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one
PubChem CID95334948
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)N1CCNC1=O
InChIInChI=1S/C17H24N4O3/c22-15(14-4-2-1-3-5-14)12-19-8-10-20(11-9-19)13-16(23)21-7-6-18-17(21)24/h1-5,15,22H,6-13H2,(H,18,24)/t15-/m0/s1
InChIKeyXZYJPLHJDHFBII-HNNXBMFYSA-N
XLogP-0.11
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one (CID 95334948) is 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)N1CCNC1=O.
What is the InChIKey of 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is XZYJPLHJDHFBII-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-15(14-4-2-1-3-5-14)12-19-8-10-20(11-9-19)13-16(23)21-7-6-18-17(21)24/h1-5,15,22H,6-13H2,(H,18,24)/t15-/m0/s1.
What are the key properties of 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 95334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).