1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

C24H28ClN5O — CID 110252715

IUPAC1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)Cn3nc(C)nc3C)C2)n1
InChIInChI=1S/C24H28ClN5O/c1-16-11-19(12-20-7-4-5-9-22(20)25)13-23(26-16)21-8-6-10-29(14-21)24(31)15-30-18(3)27-17(2)28-30/h4-5,7,9,11,13,21H,6,8,10,12,14-15H2,1-3H3
InChIKeyGHIOHAIMLUFBBJ-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.25
Rot. Bonds5

About 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone (PubChem CID 110252715) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
PubChem CID110252715
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)Cn3nc(C)nc3C)C2)n1
InChIInChI=1S/C24H28ClN5O/c1-16-11-19(12-20-7-4-5-9-22(20)25)13-23(26-16)21-8-6-10-29(14-21)24(31)15-30-18(3)27-17(2)28-30/h4-5,7,9,11,13,21H,6,8,10,12,14-15H2,1-3H3
InChIKeyGHIOHAIMLUFBBJ-UHFFFAOYSA-N
XLogP4.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814426
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 95814306
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95816362
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110252642
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95814437
3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110253871
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95816436
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110253908
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110252661
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95814319

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone (CID 110252715) is 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone is Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)Cn3nc(C)nc3C)C2)n1.
What is the InChIKey of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
The InChIKey is GHIOHAIMLUFBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-16-11-19(12-20-7-4-5-9-22(20)25)13-23(26-16)21-8-6-10-29(14-21)24(31)15-30-18(3)27-17(2)28-30/h4-5,7,9,11,13,21H,6,8,10,12,14-15H2,1-3H3.
What are the key properties of 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone has a molecular weight of 437.98 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 110252715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).