2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone

C28H31N5O — CID 10503870

IUPAC2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N5O/c1-21-31-25-18-29-15-12-26(25)33(21)20-22-13-16-32(17-14-22)27(34)19-30-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,18,22,28,30H,13-14,16-17,19-20H2,1H3
InChIKeyMKELHWVGEYRTIQ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.36
Rot. Bonds7

About 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone

2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 10503870) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID10503870
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N5O/c1-21-31-25-18-29-15-12-26(25)33(21)20-22-13-16-32(17-14-22)27(34)19-30-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,18,22,28,30H,13-14,16-17,19-20H2,1H3
InChIKeyMKELHWVGEYRTIQ-UHFFFAOYSA-N
XLogP4.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone (CID 10503870) is 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone is Cc1nc2cnccc2n1CC1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is MKELHWVGEYRTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-21-31-25-18-29-15-12-26(25)33(21)20-22-13-16-32(17-14-22)27(34)19-30-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,18,22,28,30H,13-14,16-17,19-20H2,1H3.
What are the key properties of 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 453.59 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 10503870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).