4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C20H30N2O2 — CID 168882317

IUPAC4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCCC(C)C(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-5-15(4)19(23)16-6-8-17(9-7-16)20(24)21-18-10-12-22(13-11-18)14(2)3/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,21,24)
InChIKeyODZUZRJCUGMBBF-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.52
Rot. Bonds6

About 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide

4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 168882317) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID168882317
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCCC(C)C(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-5-15(4)19(23)16-6-8-17(9-7-16)20(24)21-18-10-12-22(13-11-18)14(2)3/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,21,24)
InChIKeyODZUZRJCUGMBBF-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 131939573
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 66462526
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
N-(1-propan-2-ylpiperidin-4-yl)-5-propylthiophene-3-carboxamide
CID 25236722
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 168882317) is 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CCC(C)C(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is ODZUZRJCUGMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-15(4)19(23)16-6-8-17(9-7-16)20(24)21-18-10-12-22(13-11-18)14(2)3/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,21,24).
What are the key properties of 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 168882317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).