3-chloro-N-(2-piperidin-3-ylethyl)benzamide

C14H19ClN2O — CID 63628186

IUPAC3-chloro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c15-13-5-1-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11/h1,4-5,9,11,16H,2-3,6-8,10H2,(H,17,18)
InChIKeyAYJNIDDHAJILBF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.46
Rot. Bonds4

About 3-chloro-N-(2-piperidin-3-ylethyl)benzamide

3-chloro-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 63628186) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID63628186
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c15-13-5-1-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11/h1,4-5,9,11,16H,2-3,6-8,10H2,(H,17,18)
InChIKeyAYJNIDDHAJILBF-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 119557122
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-piperidin-3-ylethyl)benzamide (CID 63628186) is 3-chloro-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is AYJNIDDHAJILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-5-1-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11/h1,4-5,9,11,16H,2-3,6-8,10H2,(H,17,18).
What are the key properties of 3-chloro-N-(2-piperidin-3-ylethyl)benzamide?
3-chloro-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 63628186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).