methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate

C24H29N5O3 — CID 10550858

IUPACmethyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
SMILESCOC(=O)NC(CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O3/c1-17-26-21-15-25-11-8-22(21)29(17)16-18-9-12-28(13-10-18)23(30)14-20(27-24(31)32-2)19-6-4-3-5-7-19/h3-8,11,15,18,20H,9-10,12-14,16H2,1-2H3,(H,27,31)
InChIKeyRZHINVKNFFUZOI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.47
Rot. Bonds6

About methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate

methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate (PubChem CID 10550858) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
PubChem CID10550858
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Namemethyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
SMILESCOC(=O)NC(CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O3/c1-17-26-21-15-25-11-8-22(21)29(17)16-18-9-12-28(13-10-18)23(30)14-20(27-24(31)32-2)19-6-4-3-5-7-19/h3-8,11,15,18,20H,9-10,12-14,16H2,1-2H3,(H,27,31)
InChIKeyRZHINVKNFFUZOI-UHFFFAOYSA-N
XLogP3.47
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
The IUPAC name of methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate (CID 10550858) is methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate is COC(=O)NC(CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1.
What is the InChIKey of methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
The InChIKey is RZHINVKNFFUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-26-21-15-25-11-8-22(21)29(17)16-18-9-12-28(13-10-18)23(30)14-20(27-24(31)32-2)19-6-4-3-5-7-19/h3-8,11,15,18,20H,9-10,12-14,16H2,1-2H3,(H,27,31).
What are the key properties of methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate has a molecular weight of 435.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 10550858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).