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

C20H31N3O2 — CID 131939573

IUPAC2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-5-15(4)19(24)22-18-9-7-6-8-17(18)20(25)21-16-10-12-23(13-11-16)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyQGXDKFQLJCYGIP-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.27
Rot. Bonds6

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

2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 131939573) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID131939573
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-5-15(4)19(24)22-18-9-7-6-8-17(18)20(25)21-16-10-12-23(13-11-16)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyQGXDKFQLJCYGIP-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
CID 106111162
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 131939573) is 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CCC(C)C(=O)Nc1ccccc1C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is QGXDKFQLJCYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-15(4)19(24)22-18-9-7-6-8-17(18)20(25)21-16-10-12-23(13-11-16)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 131939573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).