1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone

C21H28FN3O3 — CID 42866441

IUPAC1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCC(c3ccc(F)c(C)c3)N(C(C)=O)C2)CC1
InChIInChI=1S/C21H28FN3O3/c1-14-12-17(4-6-19(14)22)20-7-5-18(13-25(20)16(3)27)21(28)24-10-8-23(9-11-24)15(2)26/h4,6,12,18,20H,5,7-11,13H2,1-3H3
InChIKeySVRHIBGVFZVTGW-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.12
Rot. Bonds2

About 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42866441) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID42866441
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCC(c3ccc(F)c(C)c3)N(C(C)=O)C2)CC1
InChIInChI=1S/C21H28FN3O3/c1-14-12-17(4-6-19(14)22)20-7-5-18(13-25(20)16(3)27)21(28)24-10-8-23(9-11-24)15(2)26/h4,6,12,18,20H,5,7-11,13H2,1-3H3
InChIKeySVRHIBGVFZVTGW-UHFFFAOYSA-N
XLogP2.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(2R,5R)-5-(4-acetylpiperazine-1-carbonyl)-N-butyl-2-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
CID 92997081
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 92996555
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468
N-butyl-2-(4-fluoro-3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
CID 46071987
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46067533
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058
(3R,6S)-3-N-[(2S)-butan-2-yl]-1-N-ethyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 100900934
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
1-[(3S)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95585399

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone (CID 42866441) is 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCC(c3ccc(F)c(C)c3)N(C(C)=O)C2)CC1.
What is the InChIKey of 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is SVRHIBGVFZVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-14-12-17(4-6-19(14)22)20-7-5-18(13-25(20)16(3)27)21(28)24-10-8-23(9-11-24)15(2)26/h4,6,12,18,20H,5,7-11,13H2,1-3H3.
What are the key properties of 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 389.47 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42866441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).