3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide

C23H23F2N5O3 — CID 121435333

IUPAC3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide
SMILESNn1c(C(=O)NCC2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cnc1-c1ccc(F)cc1
InChIInChI=1S/C23H23F2N5O3/c24-17-5-1-15(2-6-17)20-27-13-19(30(20)26)21(31)28-14-23(33)9-11-29(12-10-23)22(32)16-3-7-18(25)8-4-16/h1-8,13,33H,9-12,14,26H2,(H,28,31)
InChIKeyYWPHDFINYPQZQN-UHFFFAOYSA-N
MW455.47 g/mol
LogP1.94
Rot. Bonds5

About 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide

3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 121435333) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID121435333
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide
SMILESNn1c(C(=O)NCC2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cnc1-c1ccc(F)cc1
InChIInChI=1S/C23H23F2N5O3/c24-17-5-1-15(2-6-17)20-27-13-19(30(20)26)21(31)28-14-23(33)9-11-29(12-10-23)22(32)16-3-7-18(25)8-4-16/h1-8,13,33H,9-12,14,26H2,(H,28,31)
InChIKeyYWPHDFINYPQZQN-UHFFFAOYSA-N
XLogP1.94
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
CID 121435240
7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
CID 169489883
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015
4-(4-ethyl-4-hydroxypiperidine-1-carbonyl)benzamide
CID 119138253
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 10338507
8-(4-fluorobenzoyl)-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911545
(1-ethylpyrazol-4-yl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155990843
N-[4-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepane-1-carbonyl]-2-pyridinyl]acetamide
CID 155991080
(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30858119
(4-fluorophenyl)-[(3R)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 125003041
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide (CID 121435333) is 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide is Nn1c(C(=O)NCC2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cnc1-c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is YWPHDFINYPQZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c24-17-5-1-15(2-6-17)20-27-13-19(30(20)26)21(31)28-14-23(33)9-11-29(12-10-23)22(32)16-3-7-18(25)8-4-16/h1-8,13,33H,9-12,14,26H2,(H,28,31).
What are the key properties of 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide?
3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 121435333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).