2-chloro-4-(piperidin-3-ylmethoxy)benzamide

C13H17ClN2O2 — CID 62944251

IUPAC2-chloro-4-(piperidin-3-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-6-10(3-4-11(12)13(15)17)18-8-9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,17)
InChIKeyDLTYZZQVAKDSSS-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.82
Rot. Bonds4

About 2-chloro-4-(piperidin-3-ylmethoxy)benzamide

2-chloro-4-(piperidin-3-ylmethoxy)benzamide (PubChem CID 62944251) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-4-(piperidin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-4-(piperidin-3-ylmethoxy)benzamide
PubChem CID62944251
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-4-(piperidin-3-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-6-10(3-4-11(12)13(15)17)18-8-9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,17)
InChIKeyDLTYZZQVAKDSSS-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
2-chloro-4-pyrrolidin-3-yloxybenzamide
CID 62945417
2-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(piperidin-3-ylmethoxy)benzamide?
The IUPAC name of 2-chloro-4-(piperidin-3-ylmethoxy)benzamide (CID 62944251) is 2-chloro-4-(piperidin-3-ylmethoxy)benzamide.
What is the SMILES notation for 2-chloro-4-(piperidin-3-ylmethoxy)benzamide?
The canonical SMILES for 2-chloro-4-(piperidin-3-ylmethoxy)benzamide is NC(=O)c1ccc(OCC2CCCNC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(piperidin-3-ylmethoxy)benzamide?
The InChIKey is DLTYZZQVAKDSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-6-10(3-4-11(12)13(15)17)18-8-9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,17).
What are the key properties of 2-chloro-4-(piperidin-3-ylmethoxy)benzamide?
2-chloro-4-(piperidin-3-ylmethoxy)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(piperidin-3-ylmethoxy)benzamide is sourced from PubChem (CID 62944251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).