N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C21H30N4O — CID 127041481

IUPACN-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCN(C3CCC3)CC2)c2ccccn12
InChIInChI=1S/C21H30N4O/c1-15(2)20-23-19(18-8-3-4-11-25(18)20)21(26)22-14-16-9-12-24(13-10-16)17-6-5-7-17/h3-4,8,11,15-17H,5-7,9-10,12-14H2,1-2H3,(H,22,26)
InChIKeyMKAHOPLIAPPZBH-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.45
Rot. Bonds5

About N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127041481) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127041481
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCN(C3CCC3)CC2)c2ccccn12
InChIInChI=1S/C21H30N4O/c1-15(2)20-23-19(18-8-3-4-11-25(18)20)21(26)22-14-16-9-12-24(13-10-16)17-6-5-7-17/h3-4,8,11,15-17H,5-7,9-10,12-14H2,1-2H3,(H,22,26)
InChIKeyMKAHOPLIAPPZBH-UHFFFAOYSA-N
XLogP3.45
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127041481) is N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2CCN(C3CCC3)CC2)c2ccccn12.
What is the InChIKey of N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MKAHOPLIAPPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)20-23-19(18-8-3-4-11-25(18)20)21(26)22-14-16-9-12-24(13-10-16)17-6-5-7-17/h3-4,8,11,15-17H,5-7,9-10,12-14H2,1-2H3,(H,22,26).
What are the key properties of N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127041481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).