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

C18H28N2O — CID 110754677

IUPACN-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-5-7-16(8-6-15)19-17(21)13-14-9-11-20(4)12-10-14/h5-8,14H,9-13H2,1-4H3,(H,19,21)
InChIKeyTVMGHJQHQCBTDJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.65
Rot. Bonds3

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

N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 110754677) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID110754677
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-5-7-16(8-6-15)19-17(21)13-14-9-11-20(4)12-10-14/h5-8,14H,9-13H2,1-4H3,(H,19,21)
InChIKeyTVMGHJQHQCBTDJ-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110861482
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 147617765
N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
N-(2-ethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969544
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide (CID 110754677) is N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is TVMGHJQHQCBTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)15-5-7-16(8-6-15)19-17(21)13-14-9-11-20(4)12-10-14/h5-8,14H,9-13H2,1-4H3,(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide?
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.65, 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-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110754677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).