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

C23H27ClN2O2 — CID 92616961

IUPAC[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C23H27ClN2O2/c1-16-13-18(14-17-4-6-20(24)7-5-17)15-21(25-16)19-8-10-26(11-9-19)23(27)22-3-2-12-28-22/h4-7,13,15,19,22H,2-3,8-12,14H2,1H3/t22-/m0/s1
InChIKeyTYMFWAXKXVGUEW-QFIPXVFZSA-N
MW398.93 g/mol
LogP4.52
Rot. Bonds4

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

[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 92616961) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID92616961
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1
InChIInChI=1S/C23H27ClN2O2/c1-16-13-18(14-17-4-6-20(24)7-5-17)15-21(25-16)19-8-10-26(11-9-19)23(27)22-3-2-12-28-22/h4-7,13,15,19,22H,2-3,8-12,14H2,1H3/t22-/m0/s1
InChIKeyTYMFWAXKXVGUEW-QFIPXVFZSA-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

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

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Related Compounds

[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
(5R)-5-[3-[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 95834027
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
(6-amino-3-pyridinyl)-[4-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92617102
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 72848629
N-[(4-chlorophenyl)methyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 2208369
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 92616961) is [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1.
What is the InChIKey of [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is TYMFWAXKXVGUEW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-16-13-18(14-17-4-6-20(24)7-5-17)15-21(25-16)19-8-10-26(11-9-19)23(27)22-3-2-12-28-22/h4-7,13,15,19,22H,2-3,8-12,14H2,1H3/t22-/m0/s1.
What are the key properties of [4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-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-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 92616961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).