[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone

C18H23N3O2 — CID 70788247

IUPAC[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C)c[nH]2)C(C)C1
InChIInChI=1S/C18H23N3O2/c1-13-10-15(19-11-13)18(22)21-9-8-20(12-14(21)2)16-6-4-5-7-17(16)23-3/h4-7,10-11,14,19H,8-9,12H2,1-3H3
InChIKeyWSJPFZOWZLYOAI-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds3

About [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone

[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (PubChem CID 70788247) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
PubChem CID70788247
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C)c[nH]2)C(C)C1
InChIInChI=1S/C18H23N3O2/c1-13-10-15(19-11-13)18(22)21-9-8-20(12-14(21)2)16-6-4-5-7-17(16)23-3/h4-7,10-11,14,19H,8-9,12H2,1-3H3
InChIKeyWSJPFZOWZLYOAI-UHFFFAOYSA-N
XLogP2.68
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95892181
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
5-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897591
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 70732947
2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 95873177

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (CID 70788247) is [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc(C)c[nH]2)C(C)C1.
What is the InChIKey of [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The InChIKey is WSJPFZOWZLYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-10-15(19-11-13)18(22)21-9-8-20(12-14(21)2)16-6-4-5-7-17(16)23-3/h4-7,10-11,14,19H,8-9,12H2,1-3H3.
What are the key properties of [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 70788247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).