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

C17H22Cl2FN3O2 — CID 119316403

IUPAC[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H21ClFN3O2.ClH/c18-13-1-2-14(15(19)11-13)17(24)22-9-7-21(8-10-22)16(23)12-3-5-20-6-4-12;/h1-2,11-12,20H,3-10H2;1H
InChIKeyMNFVAOQKEIAQNC-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.18
Rot. Bonds2

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

[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119316403) has the molecular formula C17H22Cl2FN3O2 and a molecular weight of 390.29 g/mol. Its IUPAC name is [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119316403
Molecular FormulaC17H22Cl2FN3O2
Molecular Weight390.29 g/mol
Exact Mass389.11
IUPAC Name[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H21ClFN3O2.ClH/c18-13-1-2-14(15(19)11-13)17(24)22-9-7-21(8-10-22)16(23)12-3-5-20-6-4-12;/h1-2,11-12,20H,3-10H2;1H
InChIKeyMNFVAOQKEIAQNC-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

1-[4-[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412687
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
(4-chloro-2-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995650
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119316395
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076
1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771317
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120630519

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119316403) is [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is MNFVAOQKEIAQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O2.ClH/c18-13-1-2-14(15(19)11-13)17(24)22-9-7-21(8-10-22)16(23)12-3-5-20-6-4-12;/h1-2,11-12,20H,3-10H2;1H.
What are the key properties of [4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[4-(4-chloro-2-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-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119316403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).