1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one

C20H27N3O3 — CID 139002759

IUPAC1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)CC1=O
InChIInChI=1S/C20H27N3O3/c1-3-21-11-12-23(14-18(21)24)20(26)17-5-4-10-22(13-17)19(25)16-8-6-15(2)7-9-16/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyZANVEWMUSXRTAM-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.54
Rot. Bonds3

About 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one

1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one (PubChem CID 139002759) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one
PubChem CID139002759
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)CC1=O
InChIInChI=1S/C20H27N3O3/c1-3-21-11-12-23(14-18(21)24)20(26)17-5-4-10-22(13-17)19(25)16-8-6-15(2)7-9-16/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyZANVEWMUSXRTAM-UHFFFAOYSA-N
XLogP1.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139006941
4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 139000918
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one (CID 139002759) is 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one is CCN1CCN(C(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)CC1=O.
What is the InChIKey of 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one?
The InChIKey is ZANVEWMUSXRTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-21-11-12-23(14-18(21)24)20(26)17-5-4-10-22(13-17)19(25)16-8-6-15(2)7-9-16/h6-9,17H,3-5,10-14H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one?
1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 139002759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).