(6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one

C19H31NO2 — CID 143234997

IUPAC(6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one
SMILESCC[C@H](C)CN1C(=O)CCC[C@@H]1CCC(O)CC1=CC=CC1
InChIInChI=1S/C19H31NO2/c1-3-15(2)14-20-17(9-6-10-19(20)22)11-12-18(21)13-16-7-4-5-8-16/h4-5,7,15,17-18,21H,3,6,8-14H2,1-2H3/t15-,17+,18?/m0/s1
InChIKeyIYFCCHOVXBCXIE-CTDRKSARSA-N
MW305.46 g/mol
LogP3.83
Rot. Bonds8

About (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one

(6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one (PubChem CID 143234997) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one
PubChem CID143234997
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one
SMILESCC[C@H](C)CN1C(=O)CCC[C@@H]1CCC(O)CC1=CC=CC1
InChIInChI=1S/C19H31NO2/c1-3-15(2)14-20-17(9-6-10-19(20)22)11-12-18(21)13-16-7-4-5-8-16/h4-5,7,15,17-18,21H,3,6,8-14H2,1-2H3/t15-,17+,18?/m0/s1
InChIKeyIYFCCHOVXBCXIE-CTDRKSARSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one?
The IUPAC name of (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one (CID 143234997) is (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one?
The canonical SMILES for (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one is CC[C@H](C)CN1C(=O)CCC[C@@H]1CCC(O)CC1=CC=CC1.
What is the InChIKey of (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one?
The InChIKey is IYFCCHOVXBCXIE-CTDRKSARSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-15(2)14-20-17(9-6-10-19(20)22)11-12-18(21)13-16-7-4-5-8-16/h4-5,7,15,17-18,21H,3,6,8-14H2,1-2H3/t15-,17+,18?/m0/s1.
What are the key properties of (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one?
(6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one has a molecular weight of 305.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-cyclopenta-1,3-dien-1-yl-3-hydroxybutyl)-1-[(2S)-2-methylbutyl]piperidin-2-one is sourced from PubChem (CID 143234997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).