N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide

C20H31N3O2 — CID 42848022

IUPACN-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-5-15(4)21-20(25)17-8-6-7-9-18(17)23-12-10-16(11-13-23)22-19(24)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyHTZMYHSMAWLMGT-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds6

About N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide

N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide (PubChem CID 42848022) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
PubChem CID42848022
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C20H31N3O2/c1-5-15(4)21-20(25)17-8-6-7-9-18(17)23-12-10-16(11-13-23)22-19(24)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyHTZMYHSMAWLMGT-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide (CID 42848022) is N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide is CCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
The InChIKey is HTZMYHSMAWLMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-15(4)21-20(25)17-8-6-7-9-18(17)23-12-10-16(11-13-23)22-19(24)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide?
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).