(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone

C20H21Cl2N3O2 — CID 97239174

IUPAC(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1
InChIInChI=1S/C20H21Cl2N3O2/c21-17-2-1-14(10-18(17)22)19(26)13-3-6-24(7-4-13)20(27)15-5-8-25-12-23-11-16(25)9-15/h1-2,10-13,15H,3-9H2/t15-/m1/s1
InChIKeyYXYVVNUOVRERMV-OAHLLOKOSA-N
MW406.31 g/mol
LogP3.87
Rot. Bonds3

About (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone (PubChem CID 97239174) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
PubChem CID97239174
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1
InChIInChI=1S/C20H21Cl2N3O2/c21-17-2-1-14(10-18(17)22)19(26)13-3-6-24(7-4-13)20(27)15-5-8-25-12-23-11-16(25)9-15/h1-2,10-13,15H,3-9H2/t15-/m1/s1
InChIKeyYXYVVNUOVRERMV-OAHLLOKOSA-N
XLogP3.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
CID 97011145
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520872
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
(3,4-dichlorophenyl)-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]methanone
CID 55956262
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 55956642
(3,4-dichlorophenyl)-[1-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)piperidin-4-yl]methanone
CID 55979056

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone (CID 97239174) is (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone?
The InChIKey is YXYVVNUOVRERMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-17-2-1-14(10-18(17)22)19(26)13-3-6-24(7-4-13)20(27)15-5-8-25-12-23-11-16(25)9-15/h1-2,10-13,15H,3-9H2/t15-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone has a molecular weight of 406.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 97239174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).