[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone

C23H27ClN2O2 — CID 110263682

IUPAC[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C23H27ClN2O2/c1-16-13-17(14-19-5-2-3-6-20(19)24)15-21(25-16)18-8-10-26(11-9-18)23(27)22-7-4-12-28-22/h2-3,5-6,13,15,18,22H,4,7-12,14H2,1H3
InChIKeyDADVKLUFSZALOC-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.52
Rot. Bonds4

About [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110263682) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110263682
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C23H27ClN2O2/c1-16-13-17(14-19-5-2-3-6-20(19)24)15-21(25-16)18-8-10-26(11-9-18)23(27)22-7-4-12-28-22/h2-3,5-6,13,15,18,22H,4,7-12,14H2,1H3
InChIKeyDADVKLUFSZALOC-UHFFFAOYSA-N
XLogP4.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92616961
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92616884
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95816362
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
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
(2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252665
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 124983214
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110253908
3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110253871

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 110263682) is [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)C3CCCO3)CC2)n1.
What is the InChIKey of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is DADVKLUFSZALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-16-13-17(14-19-5-2-3-6-20(19)24)15-21(25-16)18-8-10-26(11-9-18)23(27)22-7-4-12-28-22/h2-3,5-6,13,15,18,22H,4,7-12,14H2,1H3.
What are the key properties of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 398.93 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110263682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).