[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone

C20H29N3O2 — CID 109052272

IUPAC[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-3-21-11-13-23(14-12-21)20(25)18-6-4-5-17(15-18)19(24)22-9-7-16(2)8-10-22/h4-6,15-16H,3,7-14H2,1-2H3
InChIKeyKNTHTPLMJIMLOY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.34
Rot. Bonds3

About [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone

[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109052272) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109052272
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-3-21-11-13-23(14-12-21)20(25)18-6-4-5-17(15-18)19(24)22-9-7-16(2)8-10-22/h4-6,15-16H,3,7-14H2,1-2H3
InChIKeyKNTHTPLMJIMLOY-UHFFFAOYSA-N
XLogP2.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
CID 110486128
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
N-(2-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052339
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 109052272) is [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is CCN1CCN(C(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)CC1.
What is the InChIKey of [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KNTHTPLMJIMLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-21-11-13-23(14-12-21)20(25)18-6-4-5-17(15-18)19(24)22-9-7-16(2)8-10-22/h4-6,15-16H,3,7-14H2,1-2H3.
What are the key properties of [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109052272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).