N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide

C30H32FN5O2 — CID 154587045

IUPACN-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide
SMILESCc1cn(-c2cc(CN3CCCC(N)C3)cc(NC(=O)c3ccc(C)c(Oc4cccc(F)c4)c3)c2)cn1
InChIInChI=1S/C30H32FN5O2/c1-20-8-9-23(13-29(20)38-28-7-3-5-24(31)14-28)30(37)34-26-11-22(17-35-10-4-6-25(32)18-35)12-27(15-26)36-16-21(2)33-19-36/h3,5,7-9,11-16,19,25H,4,6,10,17-18,32H2,1-2H3,(H,34,37)
InChIKeyPFQNSGPPOXRUTF-UHFFFAOYSA-N
MW513.62 g/mol
LogP5.60
Rot. Bonds7

About N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide

N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide (PubChem CID 154587045) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide
PubChem CID154587045
Molecular FormulaC30H32FN5O2
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC NameN-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide
SMILESCc1cn(-c2cc(CN3CCCC(N)C3)cc(NC(=O)c3ccc(C)c(Oc4cccc(F)c4)c3)c2)cn1
InChIInChI=1S/C30H32FN5O2/c1-20-8-9-23(13-29(20)38-28-7-3-5-24(31)14-28)30(37)34-26-11-22(17-35-10-4-6-25(32)18-35)12-27(15-26)36-16-21(2)33-19-36/h3,5,7-9,11-16,19,25H,4,6,10,17-18,32H2,1-2H3,(H,34,37)
InChIKeyPFQNSGPPOXRUTF-UHFFFAOYSA-N
XLogP5.60
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108989
4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108995
2-(Methylamino)pyrimidine 58
CID 16108997
N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108999
2-(Methylamino)triazine 59
CID 23646935
Cdk7-IN-25
CID 122550796
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985
(16R)-16-benzyl-17-oxo-2-oxa-9,11,15,18-tetrazapentacyclo[17.6.2.13,7.09,13.023,27]octacosa-1(26),3,5,7(28),10,12,19,21,23(27),24-decaene-4-carbonitrile
CID 9892151
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide?
The IUPAC name of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide (CID 154587045) is N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide.
What is the SMILES notation for N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide?
The canonical SMILES for N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide is Cc1cn(-c2cc(CN3CCCC(N)C3)cc(NC(=O)c3ccc(C)c(Oc4cccc(F)c4)c3)c2)cn1.
What is the InChIKey of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide?
The InChIKey is PFQNSGPPOXRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c1-20-8-9-23(13-29(20)38-28-7-3-5-24(31)14-28)30(37)34-26-11-22(17-35-10-4-6-25(32)18-35)12-27(15-26)36-16-21(2)33-19-36/h3,5,7-9,11-16,19,25H,4,6,10,17-18,32H2,1-2H3,(H,34,37).
What are the key properties of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide?
N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide has a molecular weight of 513.62 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-(3-fluorophenoxy)-4-methylbenzamide is sourced from PubChem (CID 154587045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).