2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide

C19H31N3O — CID 120602087

IUPAC2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H31N3O/c1-12(2)15(5)21-18-8-6-7-17(14(18)4)19(23)22-16-9-10-20-13(3)11-16/h6-8,12-13,15-16,20-21H,9-11H2,1-5H3,(H,22,23)
InChIKeyLNSTWUNEUFWCFU-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.32
Rot. Bonds5

About 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide

2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120602087) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120602087
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H31N3O/c1-12(2)15(5)21-18-8-6-7-17(14(18)4)19(23)22-16-9-10-20-13(3)11-16/h6-8,12-13,15-16,20-21H,9-11H2,1-5H3,(H,22,23)
InChIKeyLNSTWUNEUFWCFU-UHFFFAOYSA-N
XLogP3.32
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120600879
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 120602068
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
CID 120599721
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide (CID 120602087) is 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide is Cc1c(NC(C)C(C)C)cccc1C(=O)NC1CCNC(C)C1.
What is the InChIKey of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is LNSTWUNEUFWCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-12(2)15(5)21-18-8-6-7-17(14(18)4)19(23)22-16-9-10-20-13(3)11-16/h6-8,12-13,15-16,20-21H,9-11H2,1-5H3,(H,22,23).
What are the key properties of 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide?
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 317.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120602087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).