2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone

C19H29N3O3 — CID 112539474

IUPAC2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(C(=O)N2CCCCC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H29N3O3/c1-24-16-7-6-15(14-17(16)25-2)18(21-12-8-20-9-13-21)19(23)22-10-4-3-5-11-22/h6-7,14,18,20H,3-5,8-13H2,1-2H3
InChIKeyMTFSNSCEOVHUQM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.66
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone

2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone (PubChem CID 112539474) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
PubChem CID112539474
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(C(=O)N2CCCCC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H29N3O3/c1-24-16-7-6-15(14-17(16)25-2)18(21-12-8-20-9-13-21)19(23)22-10-4-3-5-11-22/h6-7,14,18,20H,3-5,8-13H2,1-2H3
InChIKeyMTFSNSCEOVHUQM-UHFFFAOYSA-N
XLogP1.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 83979179
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 65026244
1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 65026467
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone (CID 112539474) is 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone is COc1ccc(C(C(=O)N2CCCCC2)N2CCNCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
The InChIKey is MTFSNSCEOVHUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-16-7-6-15(14-17(16)25-2)18(21-12-8-20-9-13-21)19(23)22-10-4-3-5-11-22/h6-7,14,18,20H,3-5,8-13H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone?
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone has a molecular weight of 347.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone is sourced from PubChem (CID 112539474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).