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

C22H28N4O2 — CID 55858736

IUPAC4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(2)21(27)24-18-8-6-17(7-9-18)22(28)25-19-10-13-26(14-11-19)15-20-5-3-4-12-23-20/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPDHWYDXGGHZYFO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.07
Rot. Bonds6

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

4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 55858736) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID55858736
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(2)21(27)24-18-8-6-17(7-9-18)22(28)25-19-10-13-26(14-11-19)15-20-5-3-4-12-23-20/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPDHWYDXGGHZYFO-UHFFFAOYSA-N
XLogP3.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 55858867
methyl 4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]carbamothioylamino]benzoate
CID 100572550
3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858222
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111990343
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 55858736) is 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is CC(C)C(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is PDHWYDXGGHZYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(2)21(27)24-18-8-6-17(7-9-18)22(28)25-19-10-13-26(14-11-19)15-20-5-3-4-12-23-20/h3-9,12,16,19H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 55858736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).