3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide

C19H19ClN2O5 — CID 108550695

IUPAC3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O5/c20-13-3-1-2-11(8-13)18(26)21-14-4-6-22(7-5-14)19(27)12-9-15(23)17(25)16(24)10-12/h1-3,8-10,14,23-25H,4-7H2,(H,21,26)
InChIKeyKBULEGWDVXVIPR-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.49
Rot. Bonds3

About 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide

3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 108550695) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
PubChem CID108550695
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O5/c20-13-3-1-2-11(8-13)18(26)21-14-4-6-22(7-5-14)19(27)12-9-15(23)17(25)16(24)10-12/h1-3,8-10,14,23-25H,4-7H2,(H,21,26)
InChIKeyKBULEGWDVXVIPR-UHFFFAOYSA-N
XLogP2.49
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide (CID 108550695) is 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is KBULEGWDVXVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c20-13-3-1-2-11(8-13)18(26)21-14-4-6-22(7-5-14)19(27)12-9-15(23)17(25)16(24)10-12/h1-3,8-10,14,23-25H,4-7H2,(H,21,26).
What are the key properties of 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide?
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 390.82 g/mol, XLogP of 2.49, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).