2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide

C19H26N4O — CID 72867328

IUPAC2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1ccc(CN2CCCC(c3nccn3CC(N)=O)C2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-14-5-6-16(15(2)10-14)11-22-8-3-4-17(12-22)19-21-7-9-23(19)13-18(20)24/h5-7,9-10,17H,3-4,8,11-13H2,1-2H3,(H2,20,24)
InChIKeyCHENUODSTDQFHI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72867328) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72867328
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1ccc(CN2CCCC(c3nccn3CC(N)=O)C2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-14-5-6-16(15(2)10-14)11-22-8-3-4-17(12-22)19-21-7-9-23(19)13-18(20)24/h5-7,9-10,17H,3-4,8,11-13H2,1-2H3,(H2,20,24)
InChIKeyCHENUODSTDQFHI-UHFFFAOYSA-N
XLogP2.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270306
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72878965
2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276088
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276544
2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72837835

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 72867328) is 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide is Cc1ccc(CN2CCCC(c3nccn3CC(N)=O)C2)c(C)c1.
What is the InChIKey of 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is CHENUODSTDQFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-5-6-16(15(2)10-14)11-22-8-3-4-17(12-22)19-21-7-9-23(19)13-18(20)24/h5-7,9-10,17H,3-4,8,11-13H2,1-2H3,(H2,20,24).
What are the key properties of 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72867328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).