1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone

C20H30N4O2 — CID 136579513

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(N(C)c3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N4O2/c1-17(25)23-12-14-24(15-13-23)20(26)16-22-10-8-19(9-11-22)21(2)18-6-4-3-5-7-18/h3-7,19H,8-16H2,1-2H3
InChIKeySMZUNIPXDSLYNQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.28
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone (PubChem CID 136579513) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
PubChem CID136579513
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(N(C)c3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N4O2/c1-17(25)23-12-14-24(15-13-23)20(26)16-22-10-8-19(9-11-22)21(2)18-6-4-3-5-7-18/h3-7,19H,8-16H2,1-2H3
InChIKeySMZUNIPXDSLYNQ-UHFFFAOYSA-N
XLogP1.28
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(4-acetylpiperazin-1-yl)-2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95303265
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171326803
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
CID 63594840
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900206
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 55475688
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone (CID 136579513) is 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone is CC(=O)N1CCN(C(=O)CN2CCC(N(C)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is SMZUNIPXDSLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-17(25)23-12-14-24(15-13-23)20(26)16-22-10-8-19(9-11-22)21(2)18-6-4-3-5-7-18/h3-7,19H,8-16H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 358.49 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 136579513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).