(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone

C20H20N4O — CID 71801413

IUPAC(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2cccc2)ccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(19-16-18(8-9-21-19)22-10-4-5-11-22)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2
InChIKeyOYHFIYTZWLRXFB-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.83
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone

(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone (PubChem CID 71801413) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
PubChem CID71801413
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2cccc2)ccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(19-16-18(8-9-21-19)22-10-4-5-11-22)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2
InChIKeyOYHFIYTZWLRXFB-UHFFFAOYSA-N
XLogP2.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone (CID 71801413) is (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone is O=C(c1cc(-n2cccc2)ccn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone?
The InChIKey is OYHFIYTZWLRXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-16-18(8-9-21-19)22-10-4-5-11-22)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone?
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone has a molecular weight of 332.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 71801413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).