3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide

C18H29N3O — CID 82167886

IUPAC3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(CN2CCCCC2C)c(N)c1
InChIInChI=1S/C18H29N3O/c1-13(2)11-20-18(22)15-7-8-16(17(19)10-15)12-21-9-5-4-6-14(21)3/h7-8,10,13-14H,4-6,9,11-12,19H2,1-3H3,(H,20,22)
InChIKeyQJUCADUNRCHYMG-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.03
Rot. Bonds5

About 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide

3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 82167886) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID82167886
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(CN2CCCCC2C)c(N)c1
InChIInChI=1S/C18H29N3O/c1-13(2)11-20-18(22)15-7-8-16(17(19)10-15)12-21-9-5-4-6-14(21)3/h7-8,10,13-14H,4-6,9,11-12,19H2,1-3H3,(H,20,22)
InChIKeyQJUCADUNRCHYMG-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167860
3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
CID 82167848
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167867
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056
3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070467
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 82167886) is 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(CN2CCCCC2C)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is QJUCADUNRCHYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)11-20-18(22)15-7-8-16(17(19)10-15)12-21-9-5-4-6-14(21)3/h7-8,10,13-14H,4-6,9,11-12,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide?
3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 82167886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).