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

C23H34N4O2 — CID 127039167

IUPACN-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C23H34N4O2/c1-17(2)22-25-21(20-5-3-4-10-27(20)22)23(28)24-15-18-6-11-26(12-7-18)16-19-8-13-29-14-9-19/h3-5,10,17-19H,6-9,11-16H2,1-2H3,(H,24,28)
InChIKeyLPCQOJJAHHIJNG-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds6

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

N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127039167) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127039167
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C23H34N4O2/c1-17(2)22-25-21(20-5-3-4-10-27(20)22)23(28)24-15-18-6-11-26(12-7-18)16-19-8-13-29-14-9-19/h3-5,10,17-19H,6-9,11-16H2,1-2H3,(H,24,28)
InChIKeyLPCQOJJAHHIJNG-UHFFFAOYSA-N
XLogP3.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127039167) is N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccn12.
What is the InChIKey of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is LPCQOJJAHHIJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17(2)22-25-21(20-5-3-4-10-27(20)22)23(28)24-15-18-6-11-26(12-7-18)16-19-8-13-29-14-9-19/h3-5,10,17-19H,6-9,11-16H2,1-2H3,(H,24,28).
What are the key properties of N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127039167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).