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

C19H30N2O — CID 100707753

IUPAC2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide
SMILESCC(C)(C)c1ccc(CCN2CCC[C@@H](CC(N)=O)C2)cc1
InChIInChI=1S/C19H30N2O/c1-19(2,3)17-8-6-15(7-9-17)10-12-21-11-4-5-16(14-21)13-18(20)22/h6-9,16H,4-5,10-14H2,1-3H3,(H2,20,22)/t16-/m0/s1
InChIKeyKQUZVJKIRSJOGA-INIZCTEOSA-N
MW302.46 g/mol
LogP3.11
Rot. Bonds5

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

2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide (PubChem CID 100707753) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide
PubChem CID100707753
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide
SMILESCC(C)(C)c1ccc(CCN2CCC[C@@H](CC(N)=O)C2)cc1
InChIInChI=1S/C19H30N2O/c1-19(2,3)17-8-6-15(7-9-17)10-12-21-11-4-5-16(14-21)13-18(20)22/h6-9,16H,4-5,10-14H2,1-3H3,(H2,20,22)/t16-/m0/s1
InChIKeyKQUZVJKIRSJOGA-INIZCTEOSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
(3S)-1-[2-(4-tert-butylphenyl)ethyl]pyrrolidin-3-amine
CID 94769640
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
CID 23723218
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
CID 45237912

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide (CID 100707753) is 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide is CC(C)(C)c1ccc(CCN2CCC[C@@H](CC(N)=O)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide?
The InChIKey is KQUZVJKIRSJOGA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(2,3)17-8-6-15(7-9-17)10-12-21-11-4-5-16(14-21)13-18(20)22/h6-9,16H,4-5,10-14H2,1-3H3,(H2,20,22)/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide?
2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide has a molecular weight of 302.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 100707753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).