3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid

C20H25N3O2 — CID 122033665

IUPAC3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1
InChIInChI=1S/C20H25N3O2/c24-20(25)17-5-3-4-15(12-17)14-22-10-7-16(8-11-22)19-21-13-18-6-1-2-9-23(18)19/h3-5,12-13,16H,1-2,6-11,14H2,(H,24,25)
InChIKeyLZRUEYRDQRCEFH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds4

About 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid

3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 122033665) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid
PubChem CID122033665
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1
InChIInChI=1S/C20H25N3O2/c24-20(25)17-5-3-4-15(12-17)14-22-10-7-16(8-11-22)19-21-13-18-6-1-2-9-23(18)19/h3-5,12-13,16H,1-2,6-11,14H2,(H,24,25)
InChIKeyLZRUEYRDQRCEFH-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

7-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 166265298
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032608
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 118717670
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
3-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzoic acid
CID 87689236

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid (CID 122033665) is 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid is O=C(O)c1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)c1.
What is the InChIKey of 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is LZRUEYRDQRCEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(25)17-5-3-4-15(12-17)14-22-10-7-16(8-11-22)19-21-13-18-6-1-2-9-23(18)19/h3-5,12-13,16H,1-2,6-11,14H2,(H,24,25).
What are the key properties of 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid?
3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 122033665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).