1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone

C20H27N3O3 — CID 109046471

IUPAC1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)CC1
InChIInChI=1S/C20H27N3O3/c1-15-4-3-9-23(14-15)20(26)18-7-5-17(6-8-18)19(25)22-12-10-21(11-13-22)16(2)24/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyYDMFGPXPXCXRAC-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.86
Rot. Bonds2

About 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone

1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 109046471) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID109046471
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)CC1
InChIInChI=1S/C20H27N3O3/c1-15-4-3-9-23(14-15)20(26)18-7-5-17(6-8-18)19(25)22-12-10-21(11-13-22)16(2)24/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyYDMFGPXPXCXRAC-UHFFFAOYSA-N
XLogP1.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95971979
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone (CID 109046471) is 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCCC(C)C3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is YDMFGPXPXCXRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-4-3-9-23(14-15)20(26)18-7-5-17(6-8-18)19(25)22-12-10-21(11-13-22)16(2)24/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 357.45 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109046471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).