N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide

C20H33N3O — CID 119919792

IUPACN-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H33N3O/c1-20(2,3)17-9-7-16(8-10-17)11-12-22-19(24)15-23-13-5-6-18(14-23)21-4/h7-10,18,21H,5-6,11-15H2,1-4H3,(H,22,24)
InChIKeyNOFLIELTTWAJLV-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide

N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide (PubChem CID 119919792) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
PubChem CID119919792
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H33N3O/c1-20(2,3)17-9-7-16(8-10-17)11-12-22-19(24)15-23-13-5-6-18(14-23)21-4/h7-10,18,21H,5-6,11-15H2,1-4H3,(H,22,24)
InChIKeyNOFLIELTTWAJLV-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406
2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
CID 131963012
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-(3-hydroxypiperidin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110897518
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
CID 119919434
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide (CID 119919792) is N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide is CNC1CCCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is NOFLIELTTWAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-20(2,3)17-9-7-16(8-10-17)11-12-22-19(24)15-23-13-5-6-18(14-23)21-4/h7-10,18,21H,5-6,11-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 331.50 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 119919792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).