[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C19H26ClN3O2 — CID 17223445

IUPAC[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-2-21-11-13-23(14-12-21)18(24)15-7-9-22(10-8-15)19(25)16-5-3-4-6-17(16)20/h3-6,15H,2,7-14H2,1H3
InChIKeyGPHWKWXPDLIECJ-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.36
Rot. Bonds3

About [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 17223445) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID17223445
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-2-21-11-13-23(14-12-21)18(24)15-7-9-22(10-8-15)19(25)16-5-3-4-6-17(16)20/h3-6,15H,2,7-14H2,1H3
InChIKeyGPHWKWXPDLIECJ-UHFFFAOYSA-N
XLogP2.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
tert-butyl 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 31367642
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17223347
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133268223
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
[1-(2-chlorobenzoyl)piperidin-4-yl]-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone;hydrochloride
CID 171686632
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 17223445) is [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is GPHWKWXPDLIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-2-21-11-13-23(14-12-21)18(24)15-7-9-22(10-8-15)19(25)16-5-3-4-6-17(16)20/h3-6,15H,2,7-14H2,1H3.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 363.89 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 17223445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).