3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide

C13H18ClN3O2 — CID 23068117

IUPAC3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
SMILESCOc1c(C(N)=O)ccc(NC2CCNCC2)c1Cl
InChIInChI=1S/C13H18ClN3O2/c1-19-12-9(13(15)18)2-3-10(11(12)14)17-8-4-6-16-7-5-8/h2-3,8,16-17H,4-7H2,1H3,(H2,15,18)
InChIKeyQLIXLDJZHGQQNZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.61
Rot. Bonds4

About 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide

3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide (PubChem CID 23068117) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide.

Molecular Properties

Compound Name3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
PubChem CID23068117
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
SMILESCOc1c(C(N)=O)ccc(NC2CCNCC2)c1Cl
InChIInChI=1S/C13H18ClN3O2/c1-19-12-9(13(15)18)2-3-10(11(12)14)17-8-4-6-16-7-5-8/h2-3,8,16-17H,4-7H2,1H3,(H2,15,18)
InChIKeyQLIXLDJZHGQQNZ-UHFFFAOYSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
CID 23067973
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
3,4-dimethyl-2-piperidin-4-yloxybenzamide
CID 175125631
4-(azepan-4-ylamino)-2-methoxybenzamide
CID 23068034
4-(azepan-4-ylamino)-3-chlorobenzamide
CID 23068137
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
CID 53429651
N-(3-methoxy-2,4-dimethylphenyl)azepan-4-amine
CID 103981427
2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121293848
ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
CID 171102953
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
2-chloro-4-pyrrolidin-3-yloxybenzamide
CID 62945417

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
The IUPAC name of 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide (CID 23068117) is 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide.
What is the SMILES notation for 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
The canonical SMILES for 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide is COc1c(C(N)=O)ccc(NC2CCNCC2)c1Cl.
What is the InChIKey of 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
The InChIKey is QLIXLDJZHGQQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-12-9(13(15)18)2-3-10(11(12)14)17-8-4-6-16-7-5-8/h2-3,8,16-17H,4-7H2,1H3,(H2,15,18).
What are the key properties of 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide is sourced from PubChem (CID 23068117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).