[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone

C17H25N3O — CID 63141362

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C17H25N3O/c1-14-5-3-4-6-15(14)19-9-11-20(12-10-19)16(21)17(2)7-8-18-13-17/h3-6,18H,7-13H2,1-2H3
InChIKeyVNUJGWHTVHHIFI-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.64
Rot. Bonds2

About [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 63141362) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
PubChem CID63141362
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C17H25N3O/c1-14-5-3-4-6-15(14)19-9-11-20(12-10-19)16(21)17(2)7-8-18-13-17/h3-6,18H,7-13H2,1-2H3
InChIKeyVNUJGWHTVHHIFI-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946184
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
(2-methyloxan-2-yl)-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70713244
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63143756
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone (CID 63141362) is [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone is Cc1ccccc1N1CCN(C(=O)C2(C)CCNC2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is VNUJGWHTVHHIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-5-3-4-6-15(14)19-9-11-20(12-10-19)16(21)17(2)7-8-18-13-17/h3-6,18H,7-13H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63141362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).