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

C18H26ClN3O3 — CID 119281944

IUPAC[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-24-15-7-5-14(6-8-15)17(22)20-10-12-21(13-11-20)18(23)16-4-2-3-9-19-16;/h5-8,16,19H,2-4,9-13H2,1H3;1H
InChIKeyTXPVOTSQNNXZJQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.54
Rot. Bonds3

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

[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119281944) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID119281944
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3CCCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-24-15-7-5-14(6-8-15)17(22)20-10-12-21(13-11-20)18(23)16-4-2-3-9-19-16;/h5-8,16,19H,2-4,9-13H2,1H3;1H
InChIKeyTXPVOTSQNNXZJQ-UHFFFAOYSA-N
XLogP1.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119282011
(E)-1-(4-methoxyphenyl)-4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]but-2-ene-1,4-dione;hydrochloride
CID 167764036
[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 119332733
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
CID 119281947
4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 122081559
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120620656
3-(4-methoxyphenyl)-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311328
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
(4-methoxyphenyl)-[4-[(1R,2S)-2-methylcyclohexyl]piperazin-1-yl]methanone
CID 764819
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 119281944) is [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is COc1ccc(C(=O)N2CCN(C(=O)C3CCCCN3)CC2)cc1.Cl.
What is the InChIKey of [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is TXPVOTSQNNXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-24-15-7-5-14(6-8-15)17(22)20-10-12-21(13-11-20)18(23)16-4-2-3-9-19-16;/h5-8,16,19H,2-4,9-13H2,1H3;1H.
What are the key properties of [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119281944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).