N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C26H35ClN4O2 — CID 175429025

IUPACN-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCC1CCCC(COc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2Cl)N1
InChIInChI=1S/C26H35ClN4O2/c1-19-4-3-5-23(28-19)18-33-25-11-10-22(16-24(25)27)29-26(32)21-8-6-20(7-9-21)17-31-14-12-30(2)13-15-31/h6-11,16,19,23,28H,3-5,12-15,17-18H2,1-2H3,(H,29,32)
InChIKeyNOMZSZAZWOAERB-UHFFFAOYSA-N
MW471.05 g/mol
LogP4.25
Rot. Bonds7

About N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 175429025) has the molecular formula C26H35ClN4O2 and a molecular weight of 471.05 g/mol. Its IUPAC name is N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID175429025
Molecular FormulaC26H35ClN4O2
Molecular Weight471.05 g/mol
Exact Mass470.24
IUPAC NameN-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCC1CCCC(COc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2Cl)N1
InChIInChI=1S/C26H35ClN4O2/c1-19-4-3-5-23(28-19)18-33-25-11-10-22(16-24(25)27)29-26(32)21-8-6-20(7-9-21)17-31-14-12-30(2)13-15-31/h6-11,16,19,23,28H,3-5,12-15,17-18H2,1-2H3,(H,29,32)
InChIKeyNOMZSZAZWOAERB-UHFFFAOYSA-N
XLogP4.25
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.05
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 67371224
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
CID 44526994
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
CID 30634978

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 175429025) is N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CC1CCCC(COc2ccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)cc2Cl)N1.
What is the InChIKey of N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is NOMZSZAZWOAERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O2/c1-19-4-3-5-23(28-19)18-33-25-11-10-22(16-24(25)27)29-26(32)21-8-6-20(7-9-21)17-31-14-12-30(2)13-15-31/h6-11,16,19,23,28H,3-5,12-15,17-18H2,1-2H3,(H,29,32).
What are the key properties of N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 471.05 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(6-methylpiperidin-2-yl)methoxy]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 175429025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).