1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one

C19H19N3O2 — CID 122144748

IUPAC1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
SMILESCOc1ccnc(N2CCN(C(=O)C#Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H19N3O2/c1-24-17-9-10-20-18(15-17)21-11-13-22(14-12-21)19(23)8-7-16-5-3-2-4-6-16/h2-6,9-10,15H,11-14H2,1H3
InChIKeyBCUSCJANFQNDGX-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.79
Rot. Bonds2

About 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one

1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one (PubChem CID 122144748) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
PubChem CID122144748
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
SMILESCOc1ccnc(N2CCN(C(=O)C#Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H19N3O2/c1-24-17-9-10-20-18(15-17)21-11-13-22(14-12-21)19(23)8-7-16-5-3-2-4-6-16/h2-6,9-10,15H,11-14H2,1H3
InChIKeyBCUSCJANFQNDGX-UHFFFAOYSA-N
XLogP1.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
[(1R,2R)-2-aminocyclopentyl]-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 124689009
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
3-(2-aminophenyl)-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612990
3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
CID 134965190
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 154738408
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670166
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one
CID 11773315
1-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 68532452
1-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 75382325
3-phenyl-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one
CID 42430237

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one (CID 122144748) is 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is COc1ccnc(N2CCN(C(=O)C#Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The InChIKey is BCUSCJANFQNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-17-9-10-20-18(15-17)21-11-13-22(14-12-21)19(23)8-7-16-5-3-2-4-6-16/h2-6,9-10,15H,11-14H2,1H3.
What are the key properties of 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one has a molecular weight of 321.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 122144748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).