1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone

C21H29N3O3 — CID 109046470

IUPAC1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-3-19-6-4-5-11-24(19)21(27)18-9-7-17(8-10-18)20(26)23-14-12-22(13-15-23)16(2)25/h7-10,19H,3-6,11-15H2,1-2H3
InChIKeyJYFPDBWHPZGTPC-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.40
Rot. Bonds3

About 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone

1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 109046470) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID109046470
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-3-19-6-4-5-11-24(19)21(27)18-9-7-17(8-10-18)20(26)23-14-12-22(13-15-23)16(2)25/h7-10,19H,3-6,11-15H2,1-2H3
InChIKeyJYFPDBWHPZGTPC-UHFFFAOYSA-N
XLogP2.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 71984061
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[4-(1,3-dithian-2-yl)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 86979053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone (CID 109046470) is 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone is CCC1CCCCN1C(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is JYFPDBWHPZGTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-19-6-4-5-11-24(19)21(27)18-9-7-17(8-10-18)20(26)23-14-12-22(13-15-23)16(2)25/h7-10,19H,3-6,11-15H2,1-2H3.
What are the key properties of 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone?
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 371.48 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109046470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).