N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide

C18H24N4O — CID 97208705

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](c2ccccc2)C1)NCCc1cnc[nH]1
InChIInChI=1S/C18H24N4O/c23-18(20-9-8-17-11-19-14-21-17)13-22-10-4-7-16(12-22)15-5-2-1-3-6-15/h1-3,5-6,11,14,16H,4,7-10,12-13H2,(H,19,21)(H,20,23)/t16-/m0/s1
InChIKeyJIMLDKULFSNGFL-INIZCTEOSA-N
MW312.42 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide (PubChem CID 97208705) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
PubChem CID97208705
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](c2ccccc2)C1)NCCc1cnc[nH]1
InChIInChI=1S/C18H24N4O/c23-18(20-9-8-17-11-19-14-21-17)13-22-10-4-7-16(12-22)15-5-2-1-3-6-15/h1-3,5-6,11,14,16H,4,7-10,12-13H2,(H,19,21)(H,20,23)/t16-/m0/s1
InChIKeyJIMLDKULFSNGFL-INIZCTEOSA-N
XLogP1.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 97208277
2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 97204454
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 136861452
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
(2R)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 65231667
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97274936
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 124679998
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide (CID 97208705) is N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide is O=C(CN1CCC[C@H](c2ccccc2)C1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is JIMLDKULFSNGFL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(20-9-8-17-11-19-14-21-17)13-22-10-4-7-16(12-22)15-5-2-1-3-6-15/h1-3,5-6,11,14,16H,4,7-10,12-13H2,(H,19,21)(H,20,23)/t16-/m0/s1.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 97208705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).