N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

C22H34ClN3O3 — CID 120734581

IUPACN-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(C)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-16(24-22(27)17-8-4-3-5-9-17)14-21(26)25-13-12-23-15-19(25)18-10-6-7-11-20(18)28-2;/h6-7,10-11,16-17,19,23H,3-5,8-9,12-15H2,1-2H3,(H,24,27);1H
InChIKeyMDDCPQCINJWUCY-UHFFFAOYSA-N
MW423.99 g/mol
LogP3.07
Rot. Bonds6

About N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120734581) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120734581
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC NameN-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(C)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-16(24-22(27)17-8-4-3-5-9-17)14-21(26)25-13-12-23-15-19(25)18-10-6-7-11-20(18)28-2;/h6-7,10-11,16-17,19,23H,3-5,8-9,12-15H2,1-2H3,(H,24,27);1H
InChIKeyMDDCPQCINJWUCY-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride
CID 120733950
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
CID 120733808
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone;hydrochloride
CID 120732822
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856
3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 120735267
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 120734581) is N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is COc1ccccc1C1CNCCN1C(=O)CC(C)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is MDDCPQCINJWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c1-16(24-22(27)17-8-4-3-5-9-17)14-21(26)25-13-12-23-15-19(25)18-10-6-7-11-20(18)28-2;/h6-7,10-11,16-17,19,23H,3-5,8-9,12-15H2,1-2H3,(H,24,27);1H.
What are the key properties of N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120734581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).