4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide

C14H18ClN3O3 — CID 63875333

IUPAC4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)COC2CCNCC2)c1
InChIInChI=1S/C14H18ClN3O3/c15-11-2-1-9(14(16)20)7-12(11)18-13(19)8-21-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2,(H2,16,20)(H,18,19)
InChIKeyNPJHFTJXMNNOEH-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.15
Rot. Bonds5

About 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide

4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide (PubChem CID 63875333) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
PubChem CID63875333
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)COC2CCNCC2)c1
InChIInChI=1S/C14H18ClN3O3/c15-11-2-1-9(14(16)20)7-12(11)18-13(19)8-21-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2,(H2,16,20)(H,18,19)
InChIKeyNPJHFTJXMNNOEH-UHFFFAOYSA-N
XLogP1.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875683
N-(4-chloro-3-pyridinyl)-2-piperidin-4-yloxyacetamide
CID 83166756
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 63876200
4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
CID 87004616
3-chloro-4-(piperidin-4-yloxymethyl)benzamide
CID 102668830
4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
CID 112604455
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
2-piperidin-4-yloxy-N-(2,3,5-trifluorophenyl)acetamide
CID 63876069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
The IUPAC name of 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide (CID 63875333) is 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide.
What is the SMILES notation for 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
The canonical SMILES for 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide is NC(=O)c1ccc(Cl)c(NC(=O)COC2CCNCC2)c1.
What is the InChIKey of 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
The InChIKey is NPJHFTJXMNNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-11-2-1-9(14(16)20)7-12(11)18-13(19)8-21-10-3-5-17-6-4-10/h1-2,7,10,17H,3-6,8H2,(H2,16,20)(H,18,19).
What are the key properties of 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide?
4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide has a molecular weight of 311.77 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide is sourced from PubChem (CID 63875333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).