N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline

C28H40N6 — CID 23156160

IUPACN-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESCc1cc(C)c2nc(C)n(Cc3ccc(NCC4CCN(C5CCN(C)CC5)CC4)cc3)c2n1
InChIInChI=1S/C28H40N6/c1-20-17-21(2)30-28-27(20)31-22(3)34(28)19-24-5-7-25(8-6-24)29-18-23-9-15-33(16-10-23)26-11-13-32(4)14-12-26/h5-8,17,23,26,29H,9-16,18-19H2,1-4H3
InChIKeyOLMVLYUOBLUPHW-UHFFFAOYSA-N
MW460.67 g/mol
LogP4.62
Rot. Bonds6

About N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline

N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline (PubChem CID 23156160) has the molecular formula C28H40N6 and a molecular weight of 460.67 g/mol. Its IUPAC name is N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
PubChem CID23156160
Molecular FormulaC28H40N6
Molecular Weight460.67 g/mol
Exact Mass460.33
IUPAC NameN-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESCc1cc(C)c2nc(C)n(Cc3ccc(NCC4CCN(C5CCN(C)CC5)CC4)cc3)c2n1
InChIInChI=1S/C28H40N6/c1-20-17-21(2)30-28-27(20)31-22(3)34(28)19-24-5-7-25(8-6-24)29-18-23-9-15-33(16-10-23)26-11-13-32(4)14-12-26/h5-8,17,23,26,29H,9-16,18-19H2,1-4H3
InChIKeyOLMVLYUOBLUPHW-UHFFFAOYSA-N
XLogP4.62
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.67
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The IUPAC name of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline (CID 23156160) is N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The canonical SMILES for N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline is Cc1cc(C)c2nc(C)n(Cc3ccc(NCC4CCN(C5CCN(C)CC5)CC4)cc3)c2n1.
What is the InChIKey of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The InChIKey is OLMVLYUOBLUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6/c1-20-17-21(2)30-28-27(20)31-22(3)34(28)19-24-5-7-25(8-6-24)29-18-23-9-15-33(16-10-23)26-11-13-32(4)14-12-26/h5-8,17,23,26,29H,9-16,18-19H2,1-4H3.
What are the key properties of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline has a molecular weight of 460.67 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 23156160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).