N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide

C17H27N3O — CID 60695688

IUPACN-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
SMILESCCCN1CCC(NCC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O/c1-3-9-20-10-7-15(8-11-20)18-13-17(21)19-16-6-4-5-14(2)12-16/h4-6,12,15,18H,3,7-11,13H2,1-2H3,(H,19,21)
InChIKeyINAQWVXHSYRMIM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds6

About N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide

N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide (PubChem CID 60695688) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
PubChem CID60695688
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
SMILESCCCN1CCC(NCC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O/c1-3-9-20-10-7-15(8-11-20)18-13-17(21)19-16-6-4-5-14(2)12-16/h4-6,12,15,18H,3,7-11,13H2,1-2H3,(H,19,21)
InChIKeyINAQWVXHSYRMIM-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695712
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
2-[(3-ethylcyclohexyl)amino]-N-(3-methylphenyl)acetamide
CID 64742409
2-[(3,3-dimethylcyclopentyl)amino]-N-(3-methylphenyl)acetamide
CID 114546053
1-[(3-fluoro-5-methylphenyl)methyl]-3-(3-methylphenyl)-1-(1-propylpiperidin-4-yl)urea
CID 159712836
ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003643
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111018105
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide (CID 60695688) is N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide is CCCN1CCC(NCC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
The InChIKey is INAQWVXHSYRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-20-10-7-15(8-11-20)18-13-17(21)19-16-6-4-5-14(2)12-16/h4-6,12,15,18H,3,7-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide?
N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 60695688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).