1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone

C21H26N4O2 — CID 58200797

IUPAC1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone
SMILESCc1ccc(C(=O)CC2CC2)cc1-n1cnc(C(=O)N2CCCCC2)c1N
InChIInChI=1S/C21H26N4O2/c1-14-5-8-16(18(26)11-15-6-7-15)12-17(14)25-13-23-19(20(25)22)21(27)24-9-3-2-4-10-24/h5,8,12-13,15H,2-4,6-7,9-11,22H2,1H3
InChIKeySNGKBVVBNVCHHO-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.37
Rot. Bonds5

About 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone

1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone (PubChem CID 58200797) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone
PubChem CID58200797
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone
SMILESCc1ccc(C(=O)CC2CC2)cc1-n1cnc(C(=O)N2CCCCC2)c1N
InChIInChI=1S/C21H26N4O2/c1-14-5-8-16(18(26)11-15-6-7-15)12-17(14)25-13-23-19(20(25)22)21(27)24-9-3-2-4-10-24/h5,8,12-13,15H,2-4,6-7,9-11,22H2,1H3
InChIKeySNGKBVVBNVCHHO-UHFFFAOYSA-N
XLogP3.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-6-methylisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571887
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571688
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120629969
1-(4-bromo-3-methylphenyl)-2-cyclopropylethanone
CID 114974638
2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
CID 106754594
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
CID 82113955
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 140974061
[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 7686257

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone?
The IUPAC name of 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone (CID 58200797) is 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone?
The canonical SMILES for 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone is Cc1ccc(C(=O)CC2CC2)cc1-n1cnc(C(=O)N2CCCCC2)c1N.
What is the InChIKey of 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone?
The InChIKey is SNGKBVVBNVCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-5-8-16(18(26)11-15-6-7-15)12-17(14)25-13-23-19(20(25)22)21(27)24-9-3-2-4-10-24/h5,8,12-13,15H,2-4,6-7,9-11,22H2,1H3.
What are the key properties of 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone?
1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone has a molecular weight of 366.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-amino-4-(piperidine-1-carbonyl)imidazol-1-yl]-4-methylphenyl]-2-cyclopropylethanone is sourced from PubChem (CID 58200797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).