2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide

C18H28N2O — CID 61030445

IUPAC2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(C(C)NC(=O)CC2CCNCC2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)16-4-6-17(7-5-16)14(3)20-18(21)12-15-8-10-19-11-9-15/h4-7,13-15,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyWMRUIBFZQNIQTC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.38
Rot. Bonds5

About 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide

2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 61030445) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID61030445
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(C(C)NC(=O)CC2CCNCC2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)16-4-6-17(7-5-16)14(3)20-18(21)12-15-8-10-19-11-9-15/h4-7,13-15,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyWMRUIBFZQNIQTC-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[(1R)-1-(4-bromophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81359105
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119699865
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide (CID 61030445) is 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(C(C)NC(=O)CC2CCNCC2)cc1.
What is the InChIKey of 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is WMRUIBFZQNIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16-4-6-17(7-5-16)14(3)20-18(21)12-15-8-10-19-11-9-15/h4-7,13-15,19H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide?
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 61030445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).