N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide

C18H28N2O — CID 61029465

IUPACN-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
SMILESCC(C)(C)C(NC(=O)CC1CCNCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)17(15-7-5-4-6-8-15)20-16(21)13-14-9-11-19-12-10-14/h4-8,14,17,19H,9-13H2,1-3H3,(H,20,21)
InChIKeyVOTBJXZFXUUVMX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds4

About N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide

N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide (PubChem CID 61029465) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
PubChem CID61029465
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
SMILESCC(C)(C)C(NC(=O)CC1CCNCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)17(15-7-5-4-6-8-15)20-16(21)13-14-9-11-19-12-10-14/h4-8,14,17,19H,9-13H2,1-3H3,(H,20,21)
InChIKeyVOTBJXZFXUUVMX-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119724701
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
N-(2-hydroxy-2-phenylethyl)-2-piperidin-4-ylacetamide
CID 54910069
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide (CID 61029465) is N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide is CC(C)(C)C(NC(=O)CC1CCNCC1)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide?
The InChIKey is VOTBJXZFXUUVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)17(15-7-5-4-6-8-15)20-16(21)13-14-9-11-19-12-10-14/h4-8,14,17,19H,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide?
N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 61029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).