1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone

C22H27N5O2 — CID 95105166

IUPAC1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1
InChIInChI=1S/C22H27N5O2/c1-17(28)25-11-13-26(14-12-25)22(29)19-7-8-21(24-15-19)27-10-9-23-20(16-27)18-5-3-2-4-6-18/h2-8,15,20,23H,9-14,16H2,1H3/t20-/m0/s1
InChIKeyCEGOVWANWNPDBO-FQEVSTJZSA-N
MW393.49 g/mol
LogP1.54
Rot. Bonds3

About 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 95105166) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID95105166
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1
InChIInChI=1S/C22H27N5O2/c1-17(28)25-11-13-26(14-12-25)22(29)19-7-8-21(24-15-19)27-10-9-23-20(16-27)18-5-3-2-4-6-18/h2-8,15,20,23H,9-14,16H2,1H3/t20-/m0/s1
InChIKeyCEGOVWANWNPDBO-FQEVSTJZSA-N
XLogP1.54
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105158
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164
[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 53180808
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180758
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 95104986
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 95105130
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone (CID 95105166) is 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is CEGOVWANWNPDBO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-17(28)25-11-13-26(14-12-25)22(29)19-7-8-21(24-15-19)27-10-9-23-20(16-27)18-5-3-2-4-6-18/h2-8,15,20,23H,9-14,16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95105166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).