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

C17H26N2O — CID 47288928

IUPAC2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)17(20)18-16-9-7-15(8-10-16)12-19-11-5-4-6-14(19)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyQCBLQXUNTIBZNL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.66
Rot. Bonds4

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

2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 47288928) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID47288928
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)17(20)18-16-9-7-15(8-10-16)12-19-11-5-4-6-14(19)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyQCBLQXUNTIBZNL-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
4-bromo-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562612
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55869873
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 47288928) is 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is QCBLQXUNTIBZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)17(20)18-16-9-7-15(8-10-16)12-19-11-5-4-6-14(19)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide?
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.66, 4 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]propanamide is sourced from PubChem (CID 47288928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).