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

C13H18ClN3O2 — CID 23067973

IUPAC5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
SMILESCOc1cc(NC2CCNCC2)c(Cl)cc1C(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-19-12-7-11(10(14)6-9(12)13(15)18)17-8-2-4-16-5-3-8/h6-8,16-17H,2-5H2,1H3,(H2,15,18)
InChIKeyWMYMBCJNHNKGQY-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide

5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide (PubChem CID 23067973) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
PubChem CID23067973
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
SMILESCOc1cc(NC2CCNCC2)c(Cl)cc1C(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-19-12-7-11(10(14)6-9(12)13(15)18)17-8-2-4-16-5-3-8/h6-8,16-17H,2-5H2,1H3,(H2,15,18)
InChIKeyWMYMBCJNHNKGQY-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
The IUPAC name of 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide (CID 23067973) is 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide is COc1cc(NC2CCNCC2)c(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
The InChIKey is WMYMBCJNHNKGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-12-7-11(10(14)6-9(12)13(15)18)17-8-2-4-16-5-3-8/h6-8,16-17H,2-5H2,1H3,(H2,15,18).
What are the key properties of 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide?
5-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 5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide is sourced from PubChem (CID 23067973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).