2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone

C19H29N3O2 — CID 83978057

IUPAC2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
SMILESCOc1cccc(C(C(=O)N2CCCCC2)N2CCNCC2C)c1
InChIInChI=1S/C19H29N3O2/c1-15-14-20-9-12-22(15)18(16-7-6-8-17(13-16)24-2)19(23)21-10-4-3-5-11-21/h6-8,13,15,18,20H,3-5,9-12,14H2,1-2H3
InChIKeyDSCXFKZHAZZMNN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.04
Rot. Bonds4

About 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone

2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 83978057) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
PubChem CID83978057
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
SMILESCOc1cccc(C(C(=O)N2CCCCC2)N2CCNCC2C)c1
InChIInChI=1S/C19H29N3O2/c1-15-14-20-9-12-22(15)18(16-7-6-8-17(13-16)24-2)19(23)21-10-4-3-5-11-21/h6-8,13,15,18,20H,3-5,9-12,14H2,1-2H3
InChIKeyDSCXFKZHAZZMNN-UHFFFAOYSA-N
XLogP2.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
1-(azepan-1-yl)-2-(2-ethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 112539341
2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 83980128
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone (CID 83978057) is 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone is COc1cccc(C(C(=O)N2CCCCC2)N2CCNCC2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is DSCXFKZHAZZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-14-20-9-12-22(15)18(16-7-6-8-17(13-16)24-2)19(23)21-10-4-3-5-11-21/h6-8,13,15,18,20H,3-5,9-12,14H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone?
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 331.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 83978057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).