propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate

C18H24N4O2 — CID 98892031

IUPACpropan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CC[C@@H](C)[C@H](n2ccnc2)C1
InChIInChI=1S/C18H24N4O2/c1-13(2)24-18(23)15-5-4-7-20-17(15)21-9-6-14(3)16(11-21)22-10-8-19-12-22/h4-5,7-8,10,12-14,16H,6,9,11H2,1-3H3/t14-,16-/m1/s1
InChIKeyFZCZGMJCXPVRNP-GDBMZVCRSA-N
MW328.42 g/mol
LogP2.93
Rot. Bonds4

About propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate (PubChem CID 98892031) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
PubChem CID98892031
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namepropan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CC[C@@H](C)[C@H](n2ccnc2)C1
InChIInChI=1S/C18H24N4O2/c1-13(2)24-18(23)15-5-4-7-20-17(15)21-9-6-14(3)16(11-21)22-10-8-19-12-22/h4-5,7-8,10,12-14,16H,6,9,11H2,1-3H3/t14-,16-/m1/s1
InChIKeyFZCZGMJCXPVRNP-GDBMZVCRSA-N
XLogP2.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate (CID 98892031) is propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1N1CC[C@@H](C)[C@H](n2ccnc2)C1.
What is the InChIKey of propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is FZCZGMJCXPVRNP-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)24-18(23)15-5-4-7-20-17(15)21-9-6-14(3)16(11-21)22-10-8-19-12-22/h4-5,7-8,10,12-14,16H,6,9,11H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 98892031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).