(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide

C16H31N3O2 — CID 99593545

IUPAC(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCC[C@@]2(C)CO)CC(C)(C)N1
InChIInChI=1S/C16H31N3O2/c1-14(2)9-12(10-15(3,4)18-14)17-13(21)19-8-6-7-16(19,5)11-20/h12,18,20H,6-11H2,1-5H3,(H,17,21)/t16-/m0/s1
InChIKeyVXLZVGIMJLESKC-INIZCTEOSA-N
MW297.44 g/mol
LogP1.85
Rot. Bonds2

About (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 99593545) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID99593545
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCC[C@@]2(C)CO)CC(C)(C)N1
InChIInChI=1S/C16H31N3O2/c1-14(2)9-12(10-15(3,4)18-14)17-13(21)19-8-6-7-16(19,5)11-20/h12,18,20H,6-11H2,1-5H3,(H,17,21)/t16-/m0/s1
InChIKeyVXLZVGIMJLESKC-INIZCTEOSA-N
XLogP1.85
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 99593545) is (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide is CC1(C)CC(NC(=O)N2CCC[C@@]2(C)CO)CC(C)(C)N1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is VXLZVGIMJLESKC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(2)9-12(10-15(3,4)18-14)17-13(21)19-8-6-7-16(19,5)11-20/h12,18,20H,6-11H2,1-5H3,(H,17,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99593545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).