[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone

C19H23ClN4O — CID 97011145

IUPAC[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
SMILESO=C([C@@H]1CCn2cncc2C1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H23ClN4O/c20-17-3-1-2-15(10-17)13-22-6-8-23(9-7-22)19(25)16-4-5-24-14-21-12-18(24)11-16/h1-3,10,12,14,16H,4-9,11,13H2/t16-/m1/s1
InChIKeyXNDFVUJMYPSXFX-MRXNPFEDSA-N
MW358.87 g/mol
LogP2.44
Rot. Bonds3

About [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone (PubChem CID 97011145) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
PubChem CID97011145
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
SMILESO=C([C@@H]1CCn2cncc2C1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H23ClN4O/c20-17-3-1-2-15(10-17)13-22-6-8-23(9-7-22)19(25)16-4-5-24-14-21-12-18(24)11-16/h1-3,10,12,14,16H,4-9,11,13H2/t16-/m1/s1
InChIKeyXNDFVUJMYPSXFX-MRXNPFEDSA-N
XLogP2.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
(4-methylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 110476632
[1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42216623
[4-(3-methylphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 84578391
(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
CID 97239174
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19323616
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
The IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone (CID 97011145) is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
The canonical SMILES for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone is O=C([C@@H]1CCn2cncc2C1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
The InChIKey is XNDFVUJMYPSXFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-17-3-1-2-15(10-17)13-22-6-8-23(9-7-22)19(25)16-4-5-24-14-21-12-18(24)11-16/h1-3,10,12,14,16H,4-9,11,13H2/t16-/m1/s1.
What are the key properties of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone?
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone is sourced from PubChem (CID 97011145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).