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

C24H36N4O2 — CID 127039169

IUPACN-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(C)CCN(CC3CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C24H36N4O2/c1-18(2)22-26-21(20-6-4-5-11-28(20)22)23(29)25-17-24(3)9-12-27(13-10-24)16-19-7-14-30-15-8-19/h4-6,11,18-19H,7-10,12-17H2,1-3H3,(H,25,29)
InChIKeyDMXPIHKCPMZIBT-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.72
Rot. Bonds6

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

N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127039169) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127039169
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2(C)CCN(CC3CCOCC3)CC2)c2ccccn12
InChIInChI=1S/C24H36N4O2/c1-18(2)22-26-21(20-6-4-5-11-28(20)22)23(29)25-17-24(3)9-12-27(13-10-24)16-19-7-14-30-15-8-19/h4-6,11,18-19H,7-10,12-17H2,1-3H3,(H,25,29)
InChIKeyDMXPIHKCPMZIBT-UHFFFAOYSA-N
XLogP3.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127039169) is N-[[4-methyl-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-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2(C)CCN(CC3CCOCC3)CC2)c2ccccn12.
What is the InChIKey of N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is DMXPIHKCPMZIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-18(2)22-26-21(20-6-4-5-11-28(20)22)23(29)25-17-24(3)9-12-27(13-10-24)16-19-7-14-30-15-8-19/h4-6,11,18-19H,7-10,12-17H2,1-3H3,(H,25,29).
What are the key properties of N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127039169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).