2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide

C20H31N3O2 — CID 42751073

IUPAC2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C20H31N3O2/c1-5-19(24)22-16-6-7-18(23-10-8-15(4)9-11-23)17(12-16)20(25)21-13-14(2)3/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyQCOPNSOXIMCTKE-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.66
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide

2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide (PubChem CID 42751073) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
PubChem CID42751073
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C20H31N3O2/c1-5-19(24)22-16-6-7-18(23-10-8-15(4)9-11-23)17(12-16)20(25)21-13-14(2)3/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyQCOPNSOXIMCTKE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4297943
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129
5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4207320
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-[(4-nitrophenyl)carbamoylamino]benzamide
CID 42751524
5-[(2,6-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4267155
5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1064068
5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 771427
5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1064358
2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1063121

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide (CID 42751073) is 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide is CCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide?
The InChIKey is QCOPNSOXIMCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-19(24)22-16-6-7-18(23-10-8-15(4)9-11-23)17(12-16)20(25)21-13-14(2)3/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide?
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide has a molecular weight of 345.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide is sourced from PubChem (CID 42751073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).