5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide

C17H20FN5O2 — CID 122152775

IUPAC5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1F
InChIInChI=1S/C17H20FN5O2/c1-10-3-2-4-12(13(10)18)17(25)22-7-5-11(6-8-22)23-9-21-14(15(23)19)16(20)24/h2-4,9,11H,5-8,19H2,1H3,(H2,20,24)
InChIKeyJFFVPYYOPGIHOU-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.49
Rot. Bonds3

About 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide

5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide (PubChem CID 122152775) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide
PubChem CID122152775
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1F
InChIInChI=1S/C17H20FN5O2/c1-10-3-2-4-12(13(10)18)17(25)22-7-5-11(6-8-22)23-9-21-14(15(23)19)16(20)24/h2-4,9,11H,5-8,19H2,1H3,(H2,20,24)
InChIKeyJFFVPYYOPGIHOU-UHFFFAOYSA-N
XLogP1.49
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide
CID 154737512
1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 166178934
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 81481697
5-amino-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]imidazole-4-carboxylic acid
CID 167721230
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718141
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide (CID 122152775) is 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide is Cc1cccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1F.
What is the InChIKey of 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide?
The InChIKey is JFFVPYYOPGIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-10-3-2-4-12(13(10)18)17(25)22-7-5-11(6-8-22)23-9-21-14(15(23)19)16(20)24/h2-4,9,11H,5-8,19H2,1H3,(H2,20,24).
What are the key properties of 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide?
5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 122152775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).