[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone

C21H24N4O2 — CID 109080358

IUPAC[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCC1
InChIInChI=1S/C21H24N4O2/c26-20(24-10-4-5-11-24)17-8-9-22-19(16-17)21(27)25-14-12-23(13-15-25)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15H2
InChIKeyTVRFTTKJAMTGHK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds3

About [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109080358) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109080358
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCC1
InChIInChI=1S/C21H24N4O2/c26-20(24-10-4-5-11-24)17-8-9-22-19(16-17)21(27)25-14-12-23(13-15-25)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15H2
InChIKeyTVRFTTKJAMTGHK-UHFFFAOYSA-N
XLogP2.28
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
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-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109080358) is [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCCC1.
What is the InChIKey of [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is TVRFTTKJAMTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(24-10-4-5-11-24)17-8-9-22-19(16-17)21(27)25-14-12-23(13-15-25)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109080358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).