2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride

C17H26Cl2N4O — CID 166030777

IUPAC2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCNCC3)C2)cc1Cl.Cl
InChIInChI=1S/C17H25ClN4O.ClH/c1-21(2)17(23)15-4-3-12(9-16(15)18)20-13-10-22(11-13)14-5-7-19-8-6-14;/h3-4,9,13-14,19-20H,5-8,10-11H2,1-2H3;1H
InChIKeyAXJIUBHZHQUCJE-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.31
Rot. Bonds4

About 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride

2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride (PubChem CID 166030777) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
PubChem CID166030777
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(NC2CN(C3CCNCC3)C2)cc1Cl.Cl
InChIInChI=1S/C17H25ClN4O.ClH/c1-21(2)17(23)15-4-3-12(9-16(15)18)20-13-10-22(11-13)14-5-7-19-8-6-14;/h3-4,9,13-14,19-20H,5-8,10-11H2,1-2H3;1H
InChIKeyAXJIUBHZHQUCJE-UHFFFAOYSA-N
XLogP2.31
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 887708
N-[4-(3-Chloro-phenyl)-piperazin-2-ylmethyl]-4-methanesulfonylamino-benzamide
CID 14998858
2-chloro-4-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51203559
2-amino-N-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}benzamide
CID 16210755
4-(butyrylamino)-N-(2-chlorobenzyl)benzamide
CID 978039
2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 1090202
2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2452785
4-[[2-[[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide
CID 2469951
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 2889974
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3238617
(2-Chloro-4-propylamino-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
CID 9974701
(2-Chloro-4-methylamino-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
CID 10519373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride?
The IUPAC name of 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride (CID 166030777) is 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride is CN(C)C(=O)c1ccc(NC2CN(C3CCNCC3)C2)cc1Cl.Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride?
The InChIKey is AXJIUBHZHQUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O.ClH/c1-21(2)17(23)15-4-3-12(9-16(15)18)20-13-10-22(11-13)14-5-7-19-8-6-14;/h3-4,9,13-14,19-20H,5-8,10-11H2,1-2H3;1H.
What are the key properties of 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride?
2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride is sourced from PubChem (CID 166030777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).