5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C19H23N3O3 — CID 97330826

IUPAC5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(C[C@@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c23-17(12-15-4-2-1-3-5-15)14-21-8-10-22(11-9-21)19(25)16-6-7-18(24)20-13-16/h1-7,13,17,23H,8-12,14H2,(H,20,24)/t17-/m0/s1
InChIKeyPTRALTAADZUOLM-KRWDZBQOSA-N
MW341.41 g/mol
LogP0.74
Rot. Bonds5

About 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 97330826) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID97330826
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(C[C@@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c23-17(12-15-4-2-1-3-5-15)14-21-8-10-22(11-9-21)19(25)16-6-7-18(24)20-13-16/h1-7,13,17,23H,8-12,14H2,(H,20,24)/t17-/m0/s1
InChIKeyPTRALTAADZUOLM-KRWDZBQOSA-N
XLogP0.74
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 97330826) is 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(C[C@@H](O)Cc2ccccc2)CC1.
What is the InChIKey of 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PTRALTAADZUOLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(12-15-4-2-1-3-5-15)14-21-8-10-22(11-9-21)19(25)16-6-7-18(24)20-13-16/h1-7,13,17,23H,8-12,14H2,(H,20,24)/t17-/m0/s1.
What are the key properties of 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 341.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 97330826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).