N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C22H33N5O — CID 75472765

IUPACN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESN#CCN1CCC(CNC(=O)C2CCn3c(cnc3C3CCCCC3)C2)CC1
InChIInChI=1S/C22H33N5O/c23-9-13-26-10-6-17(7-11-26)15-25-22(28)19-8-12-27-20(14-19)16-24-21(27)18-4-2-1-3-5-18/h16-19H,1-8,10-15H2,(H,25,28)
InChIKeyZDKAHBOIUSLABU-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.84
Rot. Bonds5

About N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 75472765) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID75472765
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESN#CCN1CCC(CNC(=O)C2CCn3c(cnc3C3CCCCC3)C2)CC1
InChIInChI=1S/C22H33N5O/c23-9-13-26-10-6-17(7-11-26)15-25-22(28)19-8-12-27-20(14-19)16-24-21(27)18-4-2-1-3-5-18/h16-19H,1-8,10-15H2,(H,25,28)
InChIKeyZDKAHBOIUSLABU-UHFFFAOYSA-N
XLogP2.84
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 75472765) is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is N#CCN1CCC(CNC(=O)C2CCn3c(cnc3C3CCCCC3)C2)CC1.
What is the InChIKey of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is ZDKAHBOIUSLABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c23-9-13-26-10-6-17(7-11-26)15-25-22(28)19-8-12-27-20(14-19)16-24-21(27)18-4-2-1-3-5-18/h16-19H,1-8,10-15H2,(H,25,28).
What are the key properties of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 75472765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).