N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride

C20H31ClN4O3 — CID 120981028

IUPACN-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C20H30N4O3.ClH/c1-27-18-5-3-2-4-17(18)22-20(26)16-6-11-23(12-7-16)13-8-19(25)24-14-9-21-10-15-24;/h2-5,16,21H,6-15H2,1H3,(H,22,26);1H
InChIKeyCSTKOMPIFLFHOV-UHFFFAOYSA-N
MW410.95 g/mol
LogP1.59
Rot. Bonds6

About N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride

N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120981028) has the molecular formula C20H31ClN4O3 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120981028
Molecular FormulaC20H31ClN4O3
Molecular Weight410.95 g/mol
Exact Mass410.21
IUPAC NameN-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C20H30N4O3.ClH/c1-27-18-5-3-2-4-17(18)22-20(26)16-6-11-23(12-7-16)13-8-19(25)24-14-9-21-10-15-24;/h2-5,16,21H,6-15H2,1H3,(H,22,26);1H
InChIKeyCSTKOMPIFLFHOV-UHFFFAOYSA-N
XLogP1.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37187519
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981373
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732606
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride (CID 120981028) is N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride is COc1ccccc1NC(=O)C1CCN(CCC(=O)N2CCNCC2)CC1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is CSTKOMPIFLFHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.ClH/c1-27-18-5-3-2-4-17(18)22-20(26)16-6-11-23(12-7-16)13-8-19(25)24-14-9-21-10-15-24;/h2-5,16,21H,6-15H2,1H3,(H,22,26);1H.
What are the key properties of N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride?
N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120981028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).