1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone

C19H24N4O2 — CID 71912556

IUPAC1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(NCc2ccccc2N2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-15(24)22-9-11-23(12-10-22)18-6-4-3-5-16(18)13-20-17-7-8-19(25-2)21-14-17/h3-8,14,20H,9-13H2,1-2H3
InChIKeyIIVMGLFEZSBOSX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone

1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone (PubChem CID 71912556) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
PubChem CID71912556
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(NCc2ccccc2N2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-15(24)22-9-11-23(12-10-22)18-6-4-3-5-16(18)13-20-17-7-8-19(25-2)21-14-17/h3-8,14,20H,9-13H2,1-2H3
InChIKeyIIVMGLFEZSBOSX-UHFFFAOYSA-N
XLogP2.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 75384454
N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
CID 53174914
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
2-(2-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 16795634
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368744
6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43755835
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914826
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186259
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109155083

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone (CID 71912556) is 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone is COc1ccc(NCc2ccccc2N2CCN(C(C)=O)CC2)cn1.
What is the InChIKey of 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is IIVMGLFEZSBOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(24)22-9-11-23(12-10-22)18-6-4-3-5-16(18)13-20-17-7-8-19(25-2)21-14-17/h3-8,14,20H,9-13H2,1-2H3.
What are the key properties of 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71912556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).