N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane

C52H69N11O4 — CID 163754214

About N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane

N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane (PubChem CID 163754214) has the molecular formula C52H69N11O4 and a molecular weight of 912.20 g/mol. Its IUPAC name is N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane.

Molecular Properties

• Compound Name: N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane
• PubChem CID: 163754214
• Molecular Formula: C52H69N11O4
• Molecular Weight: 912.20 g/mol
• Exact Mass: 911.55
• IUPAC Name: N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane
• SMILES: C.Cc1ccc(Oc2cc(C(=O)Nc3cc(CN4CCC[C@H](N)C4)cc(-n4cnc(C)c4)c3)ccc2C)cn1.Cc1cn(-c2cc(N)cc(CN3CCC[C@H](NC(=O)OC(C)(C)C)C3)c2)cn1
• InChI: InChI=1S/C30H34N6O2.C21H31N5O2.CH4/c1-20-6-8-24(13-29(20)38-28-9-7-21(2)32-15-28)30(37)34-26-11-23(17-35-10-4-5-25(31)18-35)12-27(14-26)36-16-22(3)33-19-36;1-15-11-26(14-23-15)19-9-16(8-17(22)10-19)12-25-7-5-6-18(13-25)24-20(27)28-21(2,3)4;/h6-9,11-16,19,25H,4-5,10,17-18,31H2,1-3H3,(H,34,37);8-11,14,18H,5-7,12-13,22H2,1-4H3,(H,24,27);1H4/t25-;18-;/m00./s1
• InChIKey: LSPURNLLMKDRMT-DFSHHESFSA-N
• XLogP: 9.05
• TPSA: 183.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	912.20
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane?

The IUPAC name of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane (CID 163754214) is N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane.

What is the SMILES notation for N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane?

The canonical SMILES for N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane is C.Cc1ccc(Oc2cc(C(=O)Nc3cc(CN4CCC[C@H](N)C4)cc(-n4cnc(C)c4)c3)ccc2C)cn1.Cc1cn(-c2cc(N)cc(CN3CCC[C@H](NC(=O)OC(C)(C)C)C3)c2)cn1.

What is the InChIKey of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane?

The InChIKey is LSPURNLLMKDRMT-DFSHHESFSA-N. The full InChI is InChI=1S/C30H34N6O2.C21H31N5O2.CH4/c1-20-6-8-24(13-29(20)38-28-9-7-21(2)32-15-28)30(37)34-26-11-23(17-35-10-4-5-25(31)18-35)12-27(14-26)36-16-22(3)33-19-36;1-15-11-26(14-23-15)19-9-16(8-17(22)10-19)12-25-7-5-6-18(13-25)24-20(27)28-21(2,3)4;/h6-9,11-16,19,25H,4-5,10,17-18,31H2,1-3H3,(H,34,37);8-11,14,18H,5-7,12-13,22H2,1-4H3,(H,24,27);1H4/t25-;18-;/m00./s1.

What are the key properties of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane?

N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane has a molecular weight of 912.20 g/mol, XLogP of 9.05, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane is sourced from PubChem (CID 163754214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).