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

C18H27ClN4O — CID 166030852

IUPAC2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(N(C)C2CN(C3CCNCC3)C2)cc1Cl
InChIInChI=1S/C18H27ClN4O/c1-21(2)18(24)16-5-4-14(10-17(16)19)22(3)15-11-23(12-15)13-6-8-20-9-7-13/h4-5,10,13,15,20H,6-9,11-12H2,1-3H3
InChIKeyASTZKCXZLKLUCR-UHFFFAOYSA-N
MW350.89 g/mol
LogP1.91
Rot. Bonds4

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

2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide (PubChem CID 166030852) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
PubChem CID166030852
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(N(C)C2CN(C3CCNCC3)C2)cc1Cl
InChIInChI=1S/C18H27ClN4O/c1-21(2)18(24)16-5-4-14(10-17(16)19)22(3)15-11-23(12-15)13-6-8-20-9-7-13/h4-5,10,13,15,20H,6-9,11-12H2,1-3H3
InChIKeyASTZKCXZLKLUCR-UHFFFAOYSA-N
XLogP1.91
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030730
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide
CID 142325162
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
2-chloro-4-[[1-[1-[(2S)-2-hydroxy-2,3-dimethylbutanoyl]piperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide;sulfane
CID 167587543
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide (CID 166030852) is 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide is CN(C)C(=O)c1ccc(N(C)C2CN(C3CCNCC3)C2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
The InChIKey is ASTZKCXZLKLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c1-21(2)18(24)16-5-4-14(10-17(16)19)22(3)15-11-23(12-15)13-6-8-20-9-7-13/h4-5,10,13,15,20H,6-9,11-12H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide?
2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide has a molecular weight of 350.89 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide is sourced from PubChem (CID 166030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).