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

C23H29N5O2 — CID 10763921

IUPAC2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1N(C)CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1
InChIInChI=1S/C23H29N5O2/c1-17-25-19-14-24-11-8-20(19)28(17)15-18-9-12-27(13-10-18)23(29)16-26(2)21-6-4-5-7-22(21)30-3/h4-8,11,14,18H,9-10,12-13,15-16H2,1-3H3
InChIKeyHNMHPIQRVRZKIU-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.12
Rot. Bonds6

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

2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 10763921) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID10763921
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1N(C)CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1
InChIInChI=1S/C23H29N5O2/c1-17-25-19-14-24-11-8-20(19)28(17)15-18-9-12-27(13-10-18)23(29)16-26(2)21-6-4-5-7-22(21)30-3/h4-8,11,14,18H,9-10,12-13,15-16H2,1-3H3
InChIKeyHNMHPIQRVRZKIU-UHFFFAOYSA-N
XLogP3.12
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone (CID 10763921) is 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone is COc1ccccc1N(C)CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1.
What is the InChIKey of 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is HNMHPIQRVRZKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17-25-19-14-24-11-8-20(19)28(17)15-18-9-12-27(13-10-18)23(29)16-26(2)21-6-4-5-7-22(21)30-3/h4-8,11,14,18H,9-10,12-13,15-16H2,1-3H3.
What are the key properties of 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 407.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 10763921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).