N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C18H24N4O2 — CID 119899677

IUPACN-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2cccc(-n3ccnc3)c2)CCNCC1
InChIInChI=1S/C18H24N4O2/c1-14(21-17(23)18(24-2)6-8-19-9-7-18)15-4-3-5-16(12-15)22-11-10-20-13-22/h3-5,10-14,19H,6-9H2,1-2H3,(H,21,23)
InChIKeySSJKXNCVXFFTGT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.82
Rot. Bonds5

About N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119899677) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119899677
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2cccc(-n3ccnc3)c2)CCNCC1
InChIInChI=1S/C18H24N4O2/c1-14(21-17(23)18(24-2)6-8-19-9-7-18)15-4-3-5-16(12-15)22-11-10-20-13-22/h3-5,10-14,19H,6-9H2,1-2H3,(H,21,23)
InChIKeySSJKXNCVXFFTGT-UHFFFAOYSA-N
XLogP1.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
CID 119856882
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119860278
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119899677) is N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC(C)c2cccc(-n3ccnc3)c2)CCNCC1.
What is the InChIKey of N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is SSJKXNCVXFFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(21-17(23)18(24-2)6-8-19-9-7-18)15-4-3-5-16(12-15)22-11-10-20-13-22/h3-5,10-14,19H,6-9H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119899677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).