[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone

C21H33N3O — CID 71784741

IUPAC[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC(CN3CCN(C)CC3C)CC2)cc1
InChIInChI=1S/C21H33N3O/c1-4-18-5-7-20(8-6-18)21(25)23-11-9-19(10-12-23)16-24-14-13-22(3)15-17(24)2/h5-8,17,19H,4,9-16H2,1-3H3
InChIKeyVYDIUPFTZHBFNC-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.74
Rot. Bonds4

About [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone

[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 71784741) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
PubChem CID71784741
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC(CN3CCN(C)CC3C)CC2)cc1
InChIInChI=1S/C21H33N3O/c1-4-18-5-7-20(8-6-18)21(25)23-11-9-19(10-12-23)16-24-14-13-22(3)15-17(24)2/h5-8,17,19H,4,9-16H2,1-3H3
InChIKeyVYDIUPFTZHBFNC-UHFFFAOYSA-N
XLogP2.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone with MolForge

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Related Compounds

1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97039635
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 71784766
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 97039658
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(3-methylphenyl)ethanone;formic acid
CID 71784743
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 114498542
(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121451736

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone (CID 71784741) is [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCC(CN3CCN(C)CC3C)CC2)cc1.
What is the InChIKey of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is VYDIUPFTZHBFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-18-5-7-20(8-6-18)21(25)23-11-9-19(10-12-23)16-24-14-13-22(3)15-17(24)2/h5-8,17,19H,4,9-16H2,1-3H3.
What are the key properties of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone?
[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 343.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 71784741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).