1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C19H23N3O2 — CID 124960055

IUPAC1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-11-12-22(13-17-5-3-4-10-20-17)19(14-21)16-6-8-18(24-2)9-7-16/h3-10,19H,11-14H2,1-2H3/t19-/m0/s1
InChIKeyGRWOPQBPJKHYLE-IBGZPJMESA-N
MW325.41 g/mol
LogP2.50
Rot. Bonds4

About 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 124960055) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID124960055
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-11-12-22(13-17-5-3-4-10-20-17)19(14-21)16-6-8-18(24-2)9-7-16/h3-10,19H,11-14H2,1-2H3/t19-/m0/s1
InChIKeyGRWOPQBPJKHYLE-IBGZPJMESA-N
XLogP2.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(4-methoxyphenyl)-4-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 124960795
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488
1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124999677
1-[(2R)-2-(4-methoxyphenyl)-4-[4-methyl-3-(pyridin-2-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 129459608
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[4-acetyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110252415
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124941396
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 124960055) is 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2ccccn2)cc1.
What is the InChIKey of 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is GRWOPQBPJKHYLE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)21-11-12-22(13-17-5-3-4-10-20-17)19(14-21)16-6-8-18(24-2)9-7-16/h3-10,19H,11-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124960055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).