(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone

C26H29N5O — CID 95105158

IUPAC(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H29N5O/c32-26(30-17-15-29(16-18-30)23-9-5-2-6-10-23)22-11-12-25(28-19-22)31-14-13-27-24(20-31)21-7-3-1-4-8-21/h1-12,19,24,27H,13-18,20H2/t24-/m0/s1
InChIKeyVPPXPGWPOVKLGO-DEOSSOPVSA-N
MW427.55 g/mol
LogP3.19
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone

(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone (PubChem CID 95105158) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
PubChem CID95105158
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H29N5O/c32-26(30-17-15-29(16-18-30)23-9-5-2-6-10-23)22-11-12-25(28-19-22)31-14-13-27-24(20-31)21-7-3-1-4-8-21/h1-12,19,24,27H,13-18,20H2/t24-/m0/s1
InChIKeyVPPXPGWPOVKLGO-DEOSSOPVSA-N
XLogP3.19
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone with MolForge

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Related Compounds

[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
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
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
(4-phenylpiperazin-1-yl)-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 91952840
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 95104986
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104861
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
(6-bromo-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 66464052
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone (CID 95105158) is (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone is O=C(c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone?
The InChIKey is VPPXPGWPOVKLGO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N5O/c32-26(30-17-15-29(16-18-30)23-9-5-2-6-10-23)22-11-12-25(28-19-22)31-14-13-27-24(20-31)21-7-3-1-4-8-21/h1-12,19,24,27H,13-18,20H2/t24-/m0/s1.
What are the key properties of (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone?
(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone has a molecular weight of 427.55 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 95105158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).