1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone

C19H29N3O — CID 109004012

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCCC(C)C3)CC2)c1
InChIInChI=1S/C19H29N3O/c1-16-5-3-7-18(13-16)21-9-11-22(12-10-21)19(23)15-20-8-4-6-17(2)14-20/h3,5,7,13,17H,4,6,8-12,14-15H2,1-2H3
InChIKeyJFUFHPMPWZEUCL-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 109004012) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID109004012
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCCC(C)C3)CC2)c1
InChIInChI=1S/C19H29N3O/c1-16-5-3-7-18(13-16)21-9-11-22(12-10-21)19(23)15-20-8-4-6-17(2)14-20/h3,5,7,13,17H,4,6,8-12,14-15H2,1-2H3
InChIKeyJFUFHPMPWZEUCL-UHFFFAOYSA-N
XLogP2.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51339468
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 55533895
1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109002007
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 134007332
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108520633
(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58985189
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone (CID 109004012) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone is Cc1cccc(N2CCN(C(=O)CN3CCCC(C)C3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is JFUFHPMPWZEUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-5-3-7-18(13-16)21-9-11-22(12-10-21)19(23)15-20-8-4-6-17(2)14-20/h3,5,7,13,17H,4,6,8-12,14-15H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 315.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109004012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).