N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C22H34N4O2 — CID 127038354

IUPACN-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCC(C)(C)CN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1
InChIInChI=1S/C22H34N4O2/c1-16(2)20-24-19(18-8-6-7-11-26(18)20)21(27)23-17-9-12-25(13-10-17)14-22(3,4)15-28-5/h6-8,11,16-17H,9-10,12-15H2,1-5H3,(H,23,27)
InChIKeyGIZMBBNMIPPKBE-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.32
Rot. Bonds7

About N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127038354) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127038354
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCC(C)(C)CN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1
InChIInChI=1S/C22H34N4O2/c1-16(2)20-24-19(18-8-6-7-11-26(18)20)21(27)23-17-9-12-25(13-10-17)14-22(3,4)15-28-5/h6-8,11,16-17H,9-10,12-15H2,1-5H3,(H,23,27)
InChIKeyGIZMBBNMIPPKBE-UHFFFAOYSA-N
XLogP3.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127038354) is N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is COCC(C)(C)CN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1.
What is the InChIKey of N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is GIZMBBNMIPPKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(2)20-24-19(18-8-6-7-11-26(18)20)21(27)23-17-9-12-25(13-10-17)14-22(3,4)15-28-5/h6-8,11,16-17H,9-10,12-15H2,1-5H3,(H,23,27).
What are the key properties of N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127038354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).