3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C21H34N4O — CID 110838938

IUPAC3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCN(C)C3CCN(C)CC3)CC2)c1
InChIInChI=1S/C21H34N4O/c1-18-5-4-6-20(17-18)24-13-15-25(16-14-24)21(26)9-12-23(3)19-7-10-22(2)11-8-19/h4-6,17,19H,7-16H2,1-3H3
InChIKeyALBTWANKDSKOHX-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.06
Rot. Bonds5

About 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 110838938) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID110838938
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCN(C)C3CCN(C)CC3)CC2)c1
InChIInChI=1S/C21H34N4O/c1-18-5-4-6-20(17-18)24-13-15-25(16-14-24)21(26)9-12-23(3)19-7-10-22(2)11-8-19/h4-6,17,19H,7-16H2,1-3H3
InChIKeyALBTWANKDSKOHX-UHFFFAOYSA-N
XLogP2.06
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
CID 113135910
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423
N-(3-methylbutyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 113141146
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 110838938) is 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)CCN(C)C3CCN(C)CC3)CC2)c1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is ALBTWANKDSKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-18-5-4-6-20(17-18)24-13-15-25(16-14-24)21(26)9-12-23(3)19-7-10-22(2)11-8-19/h4-6,17,19H,7-16H2,1-3H3.
What are the key properties of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 358.53 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110838938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).