(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one

C20H23NO2 — CID 161446096

IUPAC(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one
SMILESO=C1O[C@H](c2ccc3ccccc3c2)CC1CN1CCCCC1
InChIInChI=1S/C20H23NO2/c22-20-18(14-21-10-4-1-5-11-21)13-19(23-20)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,18-19H,1,4-5,10-11,13-14H2/t18?,19-/m0/s1
InChIKeyVZXHNKVRHTUIAX-GGYWPGCISA-N
MW309.41 g/mol
LogP3.93
Rot. Bonds3

About (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one

(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one (PubChem CID 161446096) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one
PubChem CID161446096
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one
SMILESO=C1O[C@H](c2ccc3ccccc3c2)CC1CN1CCCCC1
InChIInChI=1S/C20H23NO2/c22-20-18(14-21-10-4-1-5-11-21)13-19(23-20)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,18-19H,1,4-5,10-11,13-14H2/t18?,19-/m0/s1
InChIKeyVZXHNKVRHTUIAX-GGYWPGCISA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one?
The IUPAC name of (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one (CID 161446096) is (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one is O=C1O[C@H](c2ccc3ccccc3c2)CC1CN1CCCCC1.
What is the InChIKey of (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one?
The InChIKey is VZXHNKVRHTUIAX-GGYWPGCISA-N. The full InChI is InChI=1S/C20H23NO2/c22-20-18(14-21-10-4-1-5-11-21)13-19(23-20)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,18-19H,1,4-5,10-11,13-14H2/t18?,19-/m0/s1.
What are the key properties of (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one?
(5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-naphthalen-2-yl-3-(piperidin-1-ylmethyl)oxolan-2-one is sourced from PubChem (CID 161446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).