2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide

C19H29ClN4O — CID 166030988

IUPAC2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
SMILESCN(C)C(=O)c1cc(N[C@H]2CCCN(C3CCNCC3)C2)ccc1Cl
InChIInChI=1S/C19H29ClN4O/c1-23(2)19(25)17-12-14(5-6-18(17)20)22-15-4-3-11-24(13-15)16-7-9-21-10-8-16/h5-6,12,15-16,21-22H,3-4,7-11,13H2,1-2H3/t15-/m0/s1
InChIKeyXEXUVGJATRIRLD-HNNXBMFYSA-N
MW364.92 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide

2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide (PubChem CID 166030988) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
PubChem CID166030988
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
SMILESCN(C)C(=O)c1cc(N[C@H]2CCCN(C3CCNCC3)C2)ccc1Cl
InChIInChI=1S/C19H29ClN4O/c1-23(2)19(25)17-12-14(5-6-18(17)20)22-15-4-3-11-24(13-15)16-7-9-21-10-8-16/h5-6,12,15-16,21-22H,3-4,7-11,13H2,1-2H3/t15-/m0/s1
InChIKeyXEXUVGJATRIRLD-HNNXBMFYSA-N
XLogP2.67
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.67
H-Bond Donors ≤ 52
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
2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030730
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 43709780
2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79461229
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961
2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030852
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978
2-chloro-4-[[(3S)-1-[1-(2-hydroxy-2,3-dimethylbutanoyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-N,N-dimethylbenzamide
CID 167549746
[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 172748552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide (CID 166030988) is 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide is CN(C)C(=O)c1cc(N[C@H]2CCCN(C3CCNCC3)C2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide?
The InChIKey is XEXUVGJATRIRLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-23(2)19(25)17-12-14(5-6-18(17)20)22-15-4-3-11-24(13-15)16-7-9-21-10-8-16/h5-6,12,15-16,21-22H,3-4,7-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide?
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide has a molecular weight of 364.92 g/mol, XLogP of 2.67, 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-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide is sourced from PubChem (CID 166030988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).