1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone

C19H24N4O — CID 110098224

IUPAC1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCNc1ncccc1CN1CCN(C(C)=O)CC1c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(24)22-11-12-23(13-17-9-6-10-21-19(17)20-2)18(14-22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,20,21)
InChIKeyAMWXSZUQZFJCJE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.53
Rot. Bonds4

About 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone

1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone (PubChem CID 110098224) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
PubChem CID110098224
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCNc1ncccc1CN1CCN(C(C)=O)CC1c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(24)22-11-12-23(13-17-9-6-10-21-19(17)20-2)18(14-22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,20,21)
InChIKeyAMWXSZUQZFJCJE-UHFFFAOYSA-N
XLogP2.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone (CID 110098224) is 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone is CNc1ncccc1CN1CCN(C(C)=O)CC1c1ccccc1.
What is the InChIKey of 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is AMWXSZUQZFJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(24)22-11-12-23(13-17-9-6-10-21-19(17)20-2)18(14-22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110098224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).