N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride

C19H30ClN3O3 — CID 120734221

IUPACN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CNC(=O)CCC(C)C.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(2)8-9-18(23)21-13-19(24)22-11-10-20-12-16(22)15-6-4-5-7-17(15)25-3;/h4-7,14,16,20H,8-13H2,1-3H3,(H,21,23);1H
InChIKeyWFJJZWXNGZITRP-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.14
Rot. Bonds7

About N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride

N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride (PubChem CID 120734221) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
PubChem CID120734221
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CNC(=O)CCC(C)C.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(2)8-9-18(23)21-13-19(24)22-11-10-20-12-16(22)15-6-4-5-7-17(15)25-3;/h4-7,14,16,20H,8-13H2,1-3H3,(H,21,23);1H
InChIKeyWFJJZWXNGZITRP-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 120734138
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride (CID 120734221) is N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride is COc1ccccc1C1CNCCN1C(=O)CNC(=O)CCC(C)C.Cl.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is WFJJZWXNGZITRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-14(2)8-9-18(23)21-13-19(24)22-11-10-20-12-16(22)15-6-4-5-7-17(15)25-3;/h4-7,14,16,20H,8-13H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 120734221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).