4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one

C22H35N3O — CID 45220822

IUPAC4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)CCC(C)C)C2)CC1
InChIInChI=1S/C22H35N3O/c1-18(2)10-11-22(26)25-12-6-8-20(17-25)23-13-15-24(16-14-23)21-9-5-4-7-19(21)3/h4-5,7,9,18,20H,6,8,10-17H2,1-3H3
InChIKeyHOTOVJAQXFJPPX-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.54
Rot. Bonds5

About 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one

4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one (PubChem CID 45220822) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one
PubChem CID45220822
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)CCC(C)C)C2)CC1
InChIInChI=1S/C22H35N3O/c1-18(2)10-11-22(26)25-12-6-8-20(17-25)23-13-15-24(16-14-23)21-9-5-4-7-19(21)3/h4-5,7,9,18,20H,6,8,10-17H2,1-3H3
InChIKeyHOTOVJAQXFJPPX-UHFFFAOYSA-N
XLogP3.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one (CID 45220822) is 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one is Cc1ccccc1N1CCN(C2CCCN(C(=O)CCC(C)C)C2)CC1.
What is the InChIKey of 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is HOTOVJAQXFJPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18(2)10-11-22(26)25-12-6-8-20(17-25)23-13-15-24(16-14-23)21-9-5-4-7-19(21)3/h4-5,7,9,18,20H,6,8,10-17H2,1-3H3.
What are the key properties of 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one?
4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 357.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 45220822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).