N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide

C20H32N2O — CID 2682066

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](C)C1
InChIInChI=1S/C20H32N2O/c1-14(2)17-9-6-10-18(15(3)4)20(17)21-19(23)13-22-11-7-8-16(5)12-22/h6,9-10,14-16H,7-8,11-13H2,1-5H3,(H,21,23)/t16-/m1/s1
InChIKeyFGTSFLFLSXRGNF-MRXNPFEDSA-N
MW316.49 g/mol
LogP4.60
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2682066) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID2682066
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](C)C1
InChIInChI=1S/C20H32N2O/c1-14(2)17-9-6-10-18(15(3)4)20(17)21-19(23)13-22-11-7-8-16(5)12-22/h6,9-10,14-16H,7-8,11-13H2,1-5H3,(H,21,23)/t16-/m1/s1
InChIKeyFGTSFLFLSXRGNF-MRXNPFEDSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
3-[1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101339
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108986491
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 2682066) is N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](C)C1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is FGTSFLFLSXRGNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N2O/c1-14(2)17-9-6-10-18(15(3)4)20(17)21-19(23)13-22-11-7-8-16(5)12-22/h6,9-10,14-16H,7-8,11-13H2,1-5H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 316.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2682066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).