2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C18H28N2O — CID 86990672

IUPAC2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)18(21)19-12-16-7-9-17(10-8-16)13-20-11-5-4-6-15(20)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyORQQGWFKMMYYAO-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds5

About 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 86990672) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID86990672
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)18(21)19-12-16-7-9-17(10-8-16)13-20-11-5-4-6-15(20)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21)
InChIKeyORQQGWFKMMYYAO-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46475812
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294
(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 87045434
1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 86990673
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 86990672) is 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC(C)C(=O)NCc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is ORQQGWFKMMYYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)18(21)19-12-16-7-9-17(10-8-16)13-20-11-5-4-6-15(20)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 86990672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).