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

C23H27N5O3 — CID 10502282

IUPACmethyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
SMILESCOC(=O)NC(CC(=O)N1CCC(n2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O3/c1-16-25-20-15-24-11-8-21(20)28(16)18-9-12-27(13-10-18)22(29)14-19(26-23(30)31-2)17-6-4-3-5-7-17/h3-8,11,15,18-19H,9-10,12-14H2,1-2H3,(H,26,30)
InChIKeyWICIVEODWIRELB-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.39
Rot. Bonds5

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

methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate (PubChem CID 10502282) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
PubChem CID10502282
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Namemethyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
SMILESCOC(=O)NC(CC(=O)N1CCC(n2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O3/c1-16-25-20-15-24-11-8-21(20)28(16)18-9-12-27(13-10-18)22(29)14-19(26-23(30)31-2)17-6-4-3-5-7-17/h3-8,11,15,18-19H,9-10,12-14H2,1-2H3,(H,26,30)
InChIKeyWICIVEODWIRELB-UHFFFAOYSA-N
XLogP3.39
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.39
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)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
The IUPAC name of methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate (CID 10502282) is methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)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)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate is COC(=O)NC(CC(=O)N1CCC(n2c(C)nc3cnccc32)CC1)c1ccccc1.
What is the InChIKey of methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
The InChIKey is WICIVEODWIRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16-25-20-15-24-11-8-21(20)28(16)18-9-12-27(13-10-18)22(29)14-19(26-23(30)31-2)17-6-4-3-5-7-17/h3-8,11,15,18-19H,9-10,12-14H2,1-2H3,(H,26,30).
What are the key properties of methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate?
methyl N-[3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.39, 5 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)piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 10502282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).