N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide

C20H26N4O2 — CID 647262

IUPACN-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
SMILESCc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1
InChIInChI=1S/C20H26N4O2/c1-15-6-8-16(9-7-15)17-14-21-20(23(17)2)22-18(25)10-11-19(26)24-12-4-3-5-13-24/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,22,25)
InChIKeyGJBJJTZFOJOTTC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.13
Rot. Bonds5

About N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide

N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide (PubChem CID 647262) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
PubChem CID647262
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
SMILESCc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1
InChIInChI=1S/C20H26N4O2/c1-15-6-8-16(9-7-15)17-14-21-20(23(17)2)22-18(25)10-11-19(26)24-12-4-3-5-13-24/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,22,25)
InChIKeyGJBJJTZFOJOTTC-UHFFFAOYSA-N
XLogP3.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750
1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 86788679
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53033057
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
1-(azepan-1-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 9262099
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
N-(5-chloro-2-pyridinyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 35271440
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
1-(2,5-dimethylphenyl)-4-piperidin-1-ylbutane-1,4-dione
CID 94101970
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide (CID 647262) is N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide is Cc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1.
What is the InChIKey of N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The InChIKey is GJBJJTZFOJOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-6-8-16(9-7-15)17-14-21-20(23(17)2)22-18(25)10-11-19(26)24-12-4-3-5-13-24/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,22,25).
What are the key properties of N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide has a molecular weight of 354.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 647262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).