[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

C18H23N3O2 — CID 110109648

IUPAC[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOc1ccccc1C1CN(C(=O)c2cccn2C)CCN1C
InChIInChI=1S/C18H23N3O2/c1-19-10-6-8-15(19)18(22)21-12-11-20(2)16(13-21)14-7-4-5-9-17(14)23-3/h4-10,16H,11-13H2,1-3H3
InChIKeyNLAVXLDGIPWXEE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.16
Rot. Bonds3

About [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone

[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 110109648) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID110109648
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOc1ccccc1C1CN(C(=O)c2cccn2C)CCN1C
InChIInChI=1S/C18H23N3O2/c1-19-10-6-8-15(19)18(22)21-12-11-20(2)16(13-21)14-7-4-5-9-17(14)23-3/h4-10,16H,11-13H2,1-3H3
InChIKeyNLAVXLDGIPWXEE-UHFFFAOYSA-N
XLogP2.16
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293154
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124973894
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110109659

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 110109648) is [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is COc1ccccc1C1CN(C(=O)c2cccn2C)CCN1C.
What is the InChIKey of [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is NLAVXLDGIPWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-19-10-6-8-15(19)18(22)21-12-11-20(2)16(13-21)14-7-4-5-9-17(14)23-3/h4-10,16H,11-13H2,1-3H3.
What are the key properties of [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 110109648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).