[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C17H22Cl2FN3O2 — CID 119307921

IUPAC[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H21ClFN3O2.ClH/c18-13-2-1-3-14(19)15(13)17(24)22-10-8-21(9-11-22)16(23)12-4-6-20-7-5-12;/h1-3,12,20H,4-11H2;1H
InChIKeyFXBRPSSTNCVYMS-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.18
Rot. Bonds2

About [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119307921) has the molecular formula C17H22Cl2FN3O2 and a molecular weight of 390.29 g/mol. Its IUPAC name is [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119307921
Molecular FormulaC17H22Cl2FN3O2
Molecular Weight390.29 g/mol
Exact Mass389.11
IUPAC Name[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H21ClFN3O2.ClH/c18-13-2-1-3-14(19)15(13)17(24)22-10-8-21(9-11-22)16(23)12-4-6-20-7-5-12;/h1-3,12,20H,4-11H2;1H
InChIKeyFXBRPSSTNCVYMS-UHFFFAOYSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119316403
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110346141
(2-chloro-6-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638999
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119756635
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119307921) is [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is FXBRPSSTNCVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O2.ClH/c18-13-2-1-3-14(19)15(13)17(24)22-10-8-21(9-11-22)16(23)12-4-6-20-7-5-12;/h1-3,12,20H,4-11H2;1H.
What are the key properties of [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 390.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119307921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).