2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide

C20H31N3O2 — CID 42962486

IUPAC2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)C(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)19(21-16(4)24)20(25)22-18-7-5-17(6-8-18)13-23-11-9-15(3)10-12-23/h5-8,14-15,19H,9-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyZZHGQZIVZJNMLF-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.02
Rot. Bonds6

About 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide

2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide (PubChem CID 42962486) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
PubChem CID42962486
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)C(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)19(21-16(4)24)20(25)22-18-7-5-17(6-8-18)13-23-11-9-15(3)10-12-23/h5-8,14-15,19H,9-13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyZZHGQZIVZJNMLF-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972376
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 108760668
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
2-chloro-N-[3-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxobutan-2-yl]benzamide
CID 55567492
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 15987928
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55734095

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide (CID 42962486) is 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide is CC(=O)NC(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is ZZHGQZIVZJNMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)19(21-16(4)24)20(25)22-18-7-5-17(6-8-18)13-23-11-9-15(3)10-12-23/h5-8,14-15,19H,9-13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 345.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 42962486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).