4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide

C20H33N3O — CID 142535343

IUPAC4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2NC)CC1
InChIInChI=1S/C20H33N3O/c1-6-11-23-12-9-16(10-13-23)22-19(24)17-8-7-15(20(2,3)4)14-18(17)21-5/h7-8,14,16,21H,6,9-13H2,1-5H3,(H,22,24)
InChIKeyQOJWYAXNOVZSFL-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.63
Rot. Bonds5

About 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide

4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 142535343) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID142535343
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2NC)CC1
InChIInChI=1S/C20H33N3O/c1-6-11-23-12-9-16(10-13-23)22-19(24)17-8-7-15(20(2,3)4)14-18(17)21-5/h7-8,14,16,21H,6,9-13H2,1-5H3,(H,22,24)
InChIKeyQOJWYAXNOVZSFL-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
5-tert-butyl-2-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 142535333
2-fluoro-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603316
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
3-chloro-6-(methylamino)-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 62178316
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide (CID 142535343) is 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2NC)CC1.
What is the InChIKey of 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is QOJWYAXNOVZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-6-11-23-12-9-16(10-13-23)22-19(24)17-8-7-15(20(2,3)4)14-18(17)21-5/h7-8,14,16,21H,6,9-13H2,1-5H3,(H,22,24).
What are the key properties of 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide?
4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 331.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(methylamino)-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 142535343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).