1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one

C23H34N2O2 — CID 55865666

IUPAC1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H34N2O2/c1-4-21-7-5-6-14-25(21)23(27)18(3)24-15-12-20(13-16-24)22(26)19-10-8-17(2)9-11-19/h8-11,18,20-21H,4-7,12-16H2,1-3H3
InChIKeyBOAVUUKQFGUYSX-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.07
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one

1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 55865666) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
PubChem CID55865666
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H34N2O2/c1-4-21-7-5-6-14-25(21)23(27)18(3)24-15-12-20(13-16-24)22(26)19-10-8-17(2)9-11-19/h8-11,18,20-21H,4-7,12-16H2,1-3H3
InChIKeyBOAVUUKQFGUYSX-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684
N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55865034
1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110295013
1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111543736
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78786224
4-[[4-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 42934037
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one (CID 55865666) is 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one is CCC1CCCCN1C(=O)C(C)N1CCC(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is BOAVUUKQFGUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-21-7-5-6-14-25(21)23(27)18(3)24-15-12-20(13-16-24)22(26)19-10-8-17(2)9-11-19/h8-11,18,20-21H,4-7,12-16H2,1-3H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55865666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).