N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide

C20H32N4O2 — CID 99957182

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCN1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1
InChIInChI=1S/C20H32N4O2/c1-22-8-10-23(11-9-22)7-3-6-21-20(25)19-5-2-4-18(16-19)17-24-12-14-26-15-13-24/h2,4-5,16H,3,6-15,17H2,1H3,(H,21,25)
InChIKeyQWBOTXSIKPTQOV-UHFFFAOYSA-N
MW360.50 g/mol
LogP0.89
Rot. Bonds7

About N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide

N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 99957182) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID99957182
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCN1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1
InChIInChI=1S/C20H32N4O2/c1-22-8-10-23(11-9-22)7-3-6-21-20(25)19-5-2-4-18(16-19)17-24-12-14-26-15-13-24/h2,4-5,16H,3,6-15,17H2,1H3,(H,21,25)
InChIKeyQWBOTXSIKPTQOV-UHFFFAOYSA-N
XLogP0.89
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[3-(pyridin-4-ylcarbamoyl)phenyl]methyl]benzamide
CID 158740294
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide (CID 99957182) is N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide is CN1CCN(CCCNC(=O)c2cccc(CN3CCOCC3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is QWBOTXSIKPTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-22-8-10-23(11-9-22)7-3-6-21-20(25)19-5-2-4-18(16-19)17-24-12-14-26-15-13-24/h2,4-5,16H,3,6-15,17H2,1H3,(H,21,25).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 360.50 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 99957182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).