1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone

C19H21N3O2 — CID 124948188

IUPAC1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ncccc2C)C[C@H]1c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-7-6-10-20-18(14)19(24)21-11-12-22(15(2)23)17(13-21)16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1
InChIKeyCLFDTLADQQSXSU-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.44
Rot. Bonds2

About 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone

1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone (PubChem CID 124948188) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
PubChem CID124948188
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ncccc2C)C[C@H]1c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-7-6-10-20-18(14)19(24)21-11-12-22(15(2)23)17(13-21)16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1
InChIKeyCLFDTLADQQSXSU-KRWDZBQOSA-N
XLogP2.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone (CID 124948188) is 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ncccc2C)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is CLFDTLADQQSXSU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-7-6-10-20-18(14)19(24)21-11-12-22(15(2)23)17(13-21)16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124948188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).