2-methyl-4-(2-piperidin-3-ylethylamino)benzamide

C15H23N3O — CID 81278418

IUPAC2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
SMILESCc1cc(NCCC2CCCNC2)ccc1C(N)=O
InChIInChI=1S/C15H23N3O/c1-11-9-13(4-5-14(11)15(16)19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17-18H,2-3,6-8,10H2,1H3,(H2,16,19)
InChIKeyZLCNQHSPKMOVJF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide

2-methyl-4-(2-piperidin-3-ylethylamino)benzamide (PubChem CID 81278418) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide.

Molecular Properties

Compound Name2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
PubChem CID81278418
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
SMILESCc1cc(NCCC2CCCNC2)ccc1C(N)=O
InChIInChI=1S/C15H23N3O/c1-11-9-13(4-5-14(11)15(16)19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17-18H,2-3,6-8,10H2,1H3,(H2,16,19)
InChIKeyZLCNQHSPKMOVJF-UHFFFAOYSA-N
XLogP1.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
CID 81276546
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
methyl 2,3-difluoro-4-(2-piperidin-3-ylethylamino)benzoate
CID 79835276
2-methyl-4-(morpholin-2-ylmethylamino)benzamide
CID 113287167
2-methyl-4-[2-(3-methylcyclohexyl)ethylamino]benzenecarbothioamide
CID 81277917
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide?
The IUPAC name of 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide (CID 81278418) is 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide.
What is the SMILES notation for 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide?
The canonical SMILES for 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide is Cc1cc(NCCC2CCCNC2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide?
The InChIKey is ZLCNQHSPKMOVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-13(4-5-14(11)15(16)19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17-18H,2-3,6-8,10H2,1H3,(H2,16,19).
What are the key properties of 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide?
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-piperidin-3-ylethylamino)benzamide is sourced from PubChem (CID 81278418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).