[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone

C18H27N3O — CID 10828160

IUPAC[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
SMILESCN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C18H27N3O/c1-19-10-12-20(13-11-19)15-16-6-5-7-17(14-16)18(22)21-8-3-2-4-9-21/h5-7,14H,2-4,8-13,15H2,1H3
InChIKeyPICQQMGTBBGDGI-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.06
Rot. Bonds3

About [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 10828160) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID10828160
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
SMILESCN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C18H27N3O/c1-19-10-12-20(13-11-19)15-16-6-5-7-17(14-16)18(22)21-8-3-2-4-9-21/h5-7,14H,2-4,8-13,15H2,1H3
InChIKeyPICQQMGTBBGDGI-UHFFFAOYSA-N
XLogP2.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119423563
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
[3-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 112844471
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone (CID 10828160) is [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone is CN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is PICQQMGTBBGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19-10-12-20(13-11-19)15-16-6-5-7-17(14-16)18(22)21-8-3-2-4-9-21/h5-7,14H,2-4,8-13,15H2,1H3.
What are the key properties of [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone?
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 301.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10828160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).