2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide

C21H30N4O2 — CID 97268630

IUPAC2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
SMILESCOc1ccc(CCN2CCC[C@@H](CN(C)C(=O)Cc3cnc[nH]3)C2)cc1
InChIInChI=1S/C21H30N4O2/c1-24(21(26)12-19-13-22-16-23-19)14-18-4-3-10-25(15-18)11-9-17-5-7-20(27-2)8-6-17/h5-8,13,16,18H,3-4,9-12,14-15H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyJPXXYISOJGKUKQ-SFHVURJKSA-N
MW370.50 g/mol
LogP2.37
Rot. Bonds8

About 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide

2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide (PubChem CID 97268630) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
PubChem CID97268630
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
SMILESCOc1ccc(CCN2CCC[C@@H](CN(C)C(=O)Cc3cnc[nH]3)C2)cc1
InChIInChI=1S/C21H30N4O2/c1-24(21(26)12-19-13-22-16-23-19)14-18-4-3-10-25(15-18)11-9-17-5-7-20(27-2)8-6-17/h5-8,13,16,18H,3-4,9-12,14-15H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyJPXXYISOJGKUKQ-SFHVURJKSA-N
XLogP2.37
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 25458865
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 42456744
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
1-[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N-methylmethanamine
CID 42094947
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
CID 25478709

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide (CID 97268630) is 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide is COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)Cc3cnc[nH]3)C2)cc1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
The InChIKey is JPXXYISOJGKUKQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24(21(26)12-19-13-22-16-23-19)14-18-4-3-10-25(15-18)11-9-17-5-7-20(27-2)8-6-17/h5-8,13,16,18H,3-4,9-12,14-15H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide has a molecular weight of 370.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 97268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).