3-chloro-4-(piperidin-4-yloxymethyl)benzamide

C13H17ClN2O2 — CID 102668830

IUPAC3-chloro-4-(piperidin-4-yloxymethyl)benzamide
SMILESNC(=O)c1ccc(COC2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-7-9(13(15)17)1-2-10(12)8-18-11-3-5-16-6-4-11/h1-2,7,11,16H,3-6,8H2,(H2,15,17)
InChIKeyLGFGNIATCSNRQE-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.71
Rot. Bonds4

About 3-chloro-4-(piperidin-4-yloxymethyl)benzamide

3-chloro-4-(piperidin-4-yloxymethyl)benzamide (PubChem CID 102668830) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-4-(piperidin-4-yloxymethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(piperidin-4-yloxymethyl)benzamide
PubChem CID102668830
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-4-(piperidin-4-yloxymethyl)benzamide
SMILESNC(=O)c1ccc(COC2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-7-9(13(15)17)1-2-10(12)8-18-11-3-5-16-6-4-11/h1-2,7,11,16H,3-6,8H2,(H2,15,17)
InChIKeyLGFGNIATCSNRQE-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzyloxy)ethyl]-2-chlorobenzamide
CID 2222859
4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315590
3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315691
4-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315752
3-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315802
4-[(4-Benzyloxy-2-oxo-1-pyridyl)methyl]-3-chloro-benzamide
CID 44449595
5-Chloro-4-(cyclohexyloxymethyl)-2-fluorobenzamide
CID 123239439
2-chloro-N-[[2-chloro-3-fluoro-4-(methoxymethyl)phenyl]methyl]benzamide
CID 155754251
N-[(2-chlorophenyl)-ethoxymethyl]benzamide
CID 134966807
2-chloro-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 17554462
5-chloro-2-fluoro-N-[3-[(1R)-1-phenylethoxy]propyl]benzamide
CID 25584969
5-chloro-2-fluoro-N-[3-[(1S)-1-phenylethoxy]propyl]benzamide
CID 25584977

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(piperidin-4-yloxymethyl)benzamide?
The IUPAC name of 3-chloro-4-(piperidin-4-yloxymethyl)benzamide (CID 102668830) is 3-chloro-4-(piperidin-4-yloxymethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(piperidin-4-yloxymethyl)benzamide?
The canonical SMILES for 3-chloro-4-(piperidin-4-yloxymethyl)benzamide is NC(=O)c1ccc(COC2CCNCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(piperidin-4-yloxymethyl)benzamide?
The InChIKey is LGFGNIATCSNRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-7-9(13(15)17)1-2-10(12)8-18-11-3-5-16-6-4-11/h1-2,7,11,16H,3-6,8H2,(H2,15,17).
What are the key properties of 3-chloro-4-(piperidin-4-yloxymethyl)benzamide?
3-chloro-4-(piperidin-4-yloxymethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(piperidin-4-yloxymethyl)benzamide is sourced from PubChem (CID 102668830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).