3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C22H27N5O2 — CID 109073075

IUPAC3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCN(c3ccccc3)CC2)n2c1CCCC2
InChIInChI=1S/C22H27N5O2/c1-2-11-23-21(28)19-18-10-6-7-12-27(18)20(24-19)22(29)26-15-13-25(14-16-26)17-8-4-3-5-9-17/h2-5,8-9H,1,6-7,10-16H2,(H,23,28)
InChIKeyZAOOMJGNJHMBEV-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.10
Rot. Bonds5

About 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109073075) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109073075
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESC=CCNC(=O)c1nc(C(=O)N2CCN(c3ccccc3)CC2)n2c1CCCC2
InChIInChI=1S/C22H27N5O2/c1-2-11-23-21(28)19-18-10-6-7-12-27(18)20(24-19)22(29)26-15-13-25(14-16-26)17-8-4-3-5-9-17/h2-5,8-9H,1,6-7,10-16H2,(H,23,28)
InChIKeyZAOOMJGNJHMBEV-UHFFFAOYSA-N
XLogP2.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
1-(4-phenylpiperazine-1-carbonyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072302
3-N-benzyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073053
3-N-(2,6-dimethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073109
3-N-(2,6-diethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073118
3-N-[2-(2-fluorophenyl)ethyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073067
3-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073057
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073064
3-N-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098
3-N-tert-butyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073087
N-[(2-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074623
3-N-(3,4-difluorophenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073179

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109073075) is 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccccc3)CC2)n2c1CCCC2.
What is the InChIKey of 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZAOOMJGNJHMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-11-23-21(28)19-18-10-6-7-12-27(18)20(24-19)22(29)26-15-13-25(14-16-26)17-8-4-3-5-9-17/h2-5,8-9H,1,6-7,10-16H2,(H,23,28).
What are the key properties of 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazine-1-carbonyl)-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).