4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride

C20H32Cl2N4O3 — CID 119860883

IUPAC4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H30N4O3.2ClH/c1-23-11-13-24(14-12-23)18(25)15-16-3-5-17(6-4-16)22-19(26)20(27-2)7-9-21-10-8-20;;/h3-6,21H,7-15H2,1-2H3,(H,22,26);2*1H
InChIKeyXWBKDKWKLAIZPG-UHFFFAOYSA-N
MW447.41 g/mol
LogP1.55
Rot. Bonds5

About 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119860883) has the molecular formula C20H32Cl2N4O3 and a molecular weight of 447.41 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119860883
Molecular FormulaC20H32Cl2N4O3
Molecular Weight447.41 g/mol
Exact Mass446.19
IUPAC Name4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H30N4O3.2ClH/c1-23-11-13-24(14-12-23)18(25)15-16-3-5-17(6-4-16)22-19(26)20(27-2)7-9-21-10-8-20;;/h3-6,21H,7-15H2,1-2H3,(H,22,26);2*1H
InChIKeyXWBKDKWKLAIZPG-UHFFFAOYSA-N
XLogP1.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
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CID 17387901
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119860883) is 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is XWBKDKWKLAIZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.2ClH/c1-23-11-13-24(14-12-23)18(25)15-16-3-5-17(6-4-16)22-19(26)20(27-2)7-9-21-10-8-20;;/h3-6,21H,7-15H2,1-2H3,(H,22,26);2*1H.
What are the key properties of 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 447.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119860883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).