2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C19H24N4O2 — CID 120670166

IUPAC2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1ccnc(N2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-14-3-5-15(6-4-14)18(20)19(24)23-11-9-22(10-12-23)17-13-16(25-2)7-8-21-17/h3-8,13,18H,9-12,20H2,1-2H3
InChIKeyBNEGQZNOHSTQNL-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 120670166) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID120670166
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1ccnc(N2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-14-3-5-15(6-4-14)18(20)19(24)23-11-9-22(10-12-23)17-13-16(25-2)7-8-21-17/h3-8,13,18H,9-12,20H2,1-2H3
InChIKeyBNEGQZNOHSTQNL-UHFFFAOYSA-N
XLogP1.75
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667079
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 154738408
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
[(1R,2R)-2-aminocyclopentyl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 124689009
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 146086580
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122144748
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 120668047
3-(2-aminophenyl)-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612990
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 120670166) is 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is COc1ccnc(N2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is BNEGQZNOHSTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-3-5-15(6-4-14)18(20)19(24)23-11-9-22(10-12-23)17-13-16(25-2)7-8-21-17/h3-8,13,18H,9-12,20H2,1-2H3.
What are the key properties of 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 340.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120670166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).