(5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one

C20H29NO3 — CID 135298872

IUPAC(5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one
SMILESCOc1ccc(C2CCN(CC[C@H]3CC(C)(C)C(=O)O3)CC2)cc1
InChIInChI=1S/C20H29NO3/c1-20(2)14-18(24-19(20)22)10-13-21-11-8-16(9-12-21)15-4-6-17(23-3)7-5-15/h4-7,16,18H,8-14H2,1-3H3/t18-/m0/s1
InChIKeyVOTQOMGIQCHJJB-SFHVURJKSA-N
MW331.46 g/mol
LogP3.61
Rot. Bonds5

About (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one

(5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one (PubChem CID 135298872) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one
PubChem CID135298872
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one
SMILESCOc1ccc(C2CCN(CC[C@H]3CC(C)(C)C(=O)O3)CC2)cc1
InChIInChI=1S/C20H29NO3/c1-20(2)14-18(24-19(20)22)10-13-21-11-8-16(9-12-21)15-4-6-17(23-3)7-5-15/h4-7,16,18H,8-14H2,1-3H3/t18-/m0/s1
InChIKeyVOTQOMGIQCHJJB-SFHVURJKSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one
CID 154597521
(5S)-3,3-diethyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxolan-2-one
CID 140837520
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887
5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
CID 71985476
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
CID 54235113
1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 18986558
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
2-[4-(4-methoxyphenyl)piperidin-1-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 143576498
3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71867470

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one?
The IUPAC name of (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one (CID 135298872) is (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one.
What is the SMILES notation for (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one?
The canonical SMILES for (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one is COc1ccc(C2CCN(CC[C@H]3CC(C)(C)C(=O)O3)CC2)cc1.
What is the InChIKey of (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one?
The InChIKey is VOTQOMGIQCHJJB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29NO3/c1-20(2)14-18(24-19(20)22)10-13-21-11-8-16(9-12-21)15-4-6-17(23-3)7-5-15/h4-7,16,18H,8-14H2,1-3H3/t18-/m0/s1.
What are the key properties of (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one?
(5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one has a molecular weight of 331.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one is sourced from PubChem (CID 135298872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).