N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide

C18H28N2O — CID 18078471

IUPACN-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-14-7-5-6-12-20(14)13-17(21)19-16-10-8-15(9-11-16)18(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyVNFFLTNFXSSNDM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.80
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide

N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 18078471) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID18078471
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-14-7-5-6-12-20(14)13-17(21)19-16-10-8-15(9-11-16)18(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyVNFFLTNFXSSNDM-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide (CID 18078471) is N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is VNFFLTNFXSSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-7-5-6-12-20(14)13-17(21)19-16-10-8-15(9-11-16)18(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide?
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 18078471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).