N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide

C18H28N2O — CID 168742135

IUPACN-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1cccc(C(C)(C)NC(=O)CC2CCCCN2C)c1
InChIInChI=1S/C18H28N2O/c1-14-8-7-9-15(12-14)18(2,3)19-17(21)13-16-10-5-6-11-20(16)4/h7-9,12,16H,5-6,10-11,13H2,1-4H3,(H,19,21)
InChIKeyGHDSPGKTTDNZDX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.22
Rot. Bonds4

About N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide

N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 168742135) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID168742135
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1cccc(C(C)(C)NC(=O)CC2CCCCN2C)c1
InChIInChI=1S/C18H28N2O/c1-14-8-7-9-15(12-14)18(2,3)19-17(21)13-16-10-5-6-11-20(16)4/h7-9,12,16H,5-6,10-11,13H2,1-4H3,(H,19,21)
InChIKeyGHDSPGKTTDNZDX-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluoro-3-methylphenyl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072004
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
N-[2-(4-methylisoquinolin-1-yl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 166072094
N-[2-(2-methoxy-3-methylphenyl)propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072006
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072120
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072170

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide (CID 168742135) is N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide is Cc1cccc(C(C)(C)NC(=O)CC2CCCCN2C)c1.
What is the InChIKey of N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is GHDSPGKTTDNZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-8-7-9-15(12-14)18(2,3)19-17(21)13-16-10-5-6-11-20(16)4/h7-9,12,16H,5-6,10-11,13H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide?
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 168742135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).