1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone

C21H30FN3O2 — CID 60505763

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N3C(C)CCCC3C)CC2)cc1F
InChIInChI=1S/C21H30FN3O2/c1-15-7-8-18(13-19(15)22)21(27)24-11-9-23(10-12-24)14-20(26)25-16(2)5-4-6-17(25)3/h7-8,13,16-17H,4-6,9-12,14H2,1-3H3
InChIKeyPFIDIPFJKCKRNZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.68
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 60505763) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
PubChem CID60505763
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N3C(C)CCCC3C)CC2)cc1F
InChIInChI=1S/C21H30FN3O2/c1-15-7-8-18(13-19(15)22)21(27)24-11-9-23(10-12-24)14-20(26)25-16(2)5-4-6-17(25)3/h7-8,13,16-17H,4-6,9-12,14H2,1-3H3
InChIKeyPFIDIPFJKCKRNZ-UHFFFAOYSA-N
XLogP2.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 47280720
(3-fluoro-4-methylphenyl)-[4-(5-hydroxypentyl)piperazin-1-yl]methanone
CID 110923840
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone (CID 60505763) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone is Cc1ccc(C(=O)N2CCN(CC(=O)N3C(C)CCCC3C)CC2)cc1F.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is PFIDIPFJKCKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-15-7-8-18(13-19(15)22)21(27)24-11-9-23(10-12-24)14-20(26)25-16(2)5-4-6-17(25)3/h7-8,13,16-17H,4-6,9-12,14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 375.49 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60505763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).