methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C17H26N4O3 — CID 56859864

IUPACmethyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)CCC1CCN(C)CC1
InChIInChI=1S/C17H26N4O3/c1-20-7-5-12(6-8-20)3-4-16(22)21-10-14-13(18-11-19-14)9-15(21)17(23)24-2/h11-12,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyMRWJKNKPVXXFBO-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.96
Rot. Bonds4

About methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 56859864) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID56859864
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namemethyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)CCC1CCN(C)CC1
InChIInChI=1S/C17H26N4O3/c1-20-7-5-12(6-8-20)3-4-16(22)21-10-14-13(18-11-19-14)9-15(21)17(23)24-2/h11-12,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyMRWJKNKPVXXFBO-UHFFFAOYSA-N
XLogP0.96
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 56859864) is methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2nc[nH]c2CN1C(=O)CCC1CCN(C)CC1.
What is the InChIKey of methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is MRWJKNKPVXXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20-7-5-12(6-8-20)3-4-16(22)21-10-14-13(18-11-19-14)9-15(21)17(23)24-2/h11-12,15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 56859864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).