(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one

C14H24N2O3 — CID 136582448

IUPAC(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one
SMILESCCC1C(CO)CCN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-3-12-10(8-17)4-5-16(12)14(19)11-6-9(2)7-13(18)15-11/h9-12,17H,3-8H2,1-2H3,(H,15,18)/t9-,10?,11-,12?/m0/s1
InChIKeyQVNFBTSWUXNFBX-VOBJUBJWSA-N
MW268.36 g/mol
LogP0.52
Rot. Bonds3

About (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one

(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one (PubChem CID 136582448) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one
PubChem CID136582448
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one
SMILESCCC1C(CO)CCN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-3-12-10(8-17)4-5-16(12)14(19)11-6-9(2)7-13(18)15-11/h9-12,17H,3-8H2,1-2H3,(H,15,18)/t9-,10?,11-,12?/m0/s1
InChIKeyQVNFBTSWUXNFBX-VOBJUBJWSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one?
The IUPAC name of (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one (CID 136582448) is (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one.
What is the SMILES notation for (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one?
The canonical SMILES for (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one is CCC1C(CO)CCN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1.
What is the InChIKey of (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one?
The InChIKey is QVNFBTSWUXNFBX-VOBJUBJWSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-12-10(8-17)4-5-16(12)14(19)11-6-9(2)7-13(18)15-11/h9-12,17H,3-8H2,1-2H3,(H,15,18)/t9-,10?,11-,12?/m0/s1.
What are the key properties of (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one?
(4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-[2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylpiperidin-2-one is sourced from PubChem (CID 136582448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).