1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one

C21H27N3O2 — CID 3040689

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
SMILESO=C(CCN(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C21H27N3O2/c25-18-17-22-13-15-23(16-14-22)21(26)11-12-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18H2
InChIKeyCDUWZSVCKAAYRT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.35
Rot. Bonds7

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one (PubChem CID 3040689) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
PubChem CID3040689
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
SMILESO=C(CCN(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C21H27N3O2/c25-18-17-22-13-15-23(16-14-22)21(26)11-12-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18H2
InChIKeyCDUWZSVCKAAYRT-UHFFFAOYSA-N
XLogP2.35
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one (CID 3040689) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one is O=C(CCN(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one?
The InChIKey is CDUWZSVCKAAYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-18-17-22-13-15-23(16-14-22)21(26)11-12-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one has a molecular weight of 353.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one is sourced from PubChem (CID 3040689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).