4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one

C14H24N2O3 — CID 43419390

IUPAC4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCC(O)CC2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)8-16-9-11(7-13(16)18)14(19)15-5-3-12(17)4-6-15/h10-12,17H,3-9H2,1-2H3
InChIKeyNEFGNXKKQWXGSY-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.47
Rot. Bonds3

About 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one

4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 43419390) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID43419390
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCC(O)CC2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)8-16-9-11(7-13(16)18)14(19)15-5-3-12(17)4-6-15/h10-12,17H,3-9H2,1-2H3
InChIKeyNEFGNXKKQWXGSY-UHFFFAOYSA-N
XLogP0.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one (CID 43419390) is 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(C(=O)N2CCC(O)CC2)CC1=O.
What is the InChIKey of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is NEFGNXKKQWXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)8-16-9-11(7-13(16)18)14(19)15-5-3-12(17)4-6-15/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one?
4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 43419390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).