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

C21H32N4O2 — CID 127041479

IUPACN-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCN1CCC(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
InChIInChI=1S/C21H32N4O2/c1-16(2)20-23-19(18-7-4-5-11-25(18)20)21(26)22-15-17-8-12-24(13-9-17)10-6-14-27-3/h4-5,7,11,16-17H,6,8-10,12-15H2,1-3H3,(H,22,26)
InChIKeyZIHAQPDNWDFHCS-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.94
Rot. Bonds8

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

N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127041479) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127041479
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCN1CCC(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
InChIInChI=1S/C21H32N4O2/c1-16(2)20-23-19(18-7-4-5-11-25(18)20)21(26)22-15-17-8-12-24(13-9-17)10-6-14-27-3/h4-5,7,11,16-17H,6,8-10,12-15H2,1-3H3,(H,22,26)
InChIKeyZIHAQPDNWDFHCS-UHFFFAOYSA-N
XLogP2.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127041479) is N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is COCCCN1CCC(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1.
What is the InChIKey of N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZIHAQPDNWDFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)20-23-19(18-7-4-5-11-25(18)20)21(26)22-15-17-8-12-24(13-9-17)10-6-14-27-3/h4-5,7,11,16-17H,6,8-10,12-15H2,1-3H3,(H,22,26).
What are the key properties of N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127041479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).