(4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone

C22H19ClF4N4O — CID 177249636

IUPAC(4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cnc(-c3ccc(F)c(Cl)c3)n2Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C22H19ClF4N4O/c23-15-9-13(1-2-16(15)24)21-29-10-19(22(32)30-5-3-14(28)4-6-30)31(21)11-12-7-17(25)20(27)18(26)8-12/h1-2,7-10,14H,3-6,11,28H2
InChIKeyDIAPVVMZLFIEIC-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.37
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone

(4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone (PubChem CID 177249636) has the molecular formula C22H19ClF4N4O and a molecular weight of 466.87 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone
PubChem CID177249636
Molecular FormulaC22H19ClF4N4O
Molecular Weight466.87 g/mol
Exact Mass466.12
IUPAC Name(4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone
SMILESNC1CCN(C(=O)c2cnc(-c3ccc(F)c(Cl)c3)n2Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C22H19ClF4N4O/c23-15-9-13(1-2-16(15)24)21-29-10-19(22(32)30-5-3-14(28)4-6-30)31(21)11-12-7-17(25)20(27)18(26)8-12/h1-2,7-10,14H,3-6,11,28H2
InChIKeyDIAPVVMZLFIEIC-UHFFFAOYSA-N
XLogP4.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone
CID 118215079
(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone
CID 71292463
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111824456
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone (CID 177249636) is (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone is NC1CCN(C(=O)c2cnc(-c3ccc(F)c(Cl)c3)n2Cc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone?
The InChIKey is DIAPVVMZLFIEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF4N4O/c23-15-9-13(1-2-16(15)24)21-29-10-19(22(32)30-5-3-14(28)4-6-30)31(21)11-12-7-17(25)20(27)18(26)8-12/h1-2,7-10,14H,3-6,11,28H2.
What are the key properties of (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone?
(4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone has a molecular weight of 466.87 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(3-chloro-4-fluorophenyl)-3-[(3,4,5-trifluorophenyl)methyl]imidazol-4-yl]methanone is sourced from PubChem (CID 177249636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).