(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone

C18H24ClNO3 — CID 100703567

IUPAC(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1
InChIInChI=1S/C18H24ClNO3/c1-13-16(3-2-4-17(13)19)18(21)20-8-5-15(6-9-20)23-12-14-7-10-22-11-14/h2-4,14-15H,5-12H2,1H3/t14-/m1/s1
InChIKeyPKVPCRIFLGLIFM-CQSZACIVSA-N
MW337.85 g/mol
LogP3.31
Rot. Bonds4

About (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone

(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone (PubChem CID 100703567) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone
PubChem CID100703567
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1
InChIInChI=1S/C18H24ClNO3/c1-13-16(3-2-4-17(13)19)18(21)20-8-5-15(6-9-20)23-12-14-7-10-22-11-14/h2-4,14-15H,5-12H2,1H3/t14-/m1/s1
InChIKeyPKVPCRIFLGLIFM-CQSZACIVSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone (CID 100703567) is (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone is Cc1c(Cl)cccc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone?
The InChIKey is PKVPCRIFLGLIFM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-13-16(3-2-4-17(13)19)18(21)20-8-5-15(6-9-20)23-12-14-7-10-22-11-14/h2-4,14-15H,5-12H2,1H3/t14-/m1/s1.
What are the key properties of (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone has a molecular weight of 337.85 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 100703567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).