(2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide

C20H28N4O2 — CID 128974235

IUPAC(2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C20H28N4O2/c1-22-11-7-10-16(18(22)17-12-21-24(3)14-17)13-23(2)20(26)19(25)15-8-5-4-6-9-15/h4-6,8-9,12,14,16,18-19,25H,7,10-11,13H2,1-3H3/t16-,18+,19+/m0/s1
InChIKeyMRPLDIMZJOKLBI-QXAKKESOSA-N
MW356.47 g/mol
LogP2.00
Rot. Bonds5

About (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide

(2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide (PubChem CID 128974235) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide
PubChem CID128974235
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C20H28N4O2/c1-22-11-7-10-16(18(22)17-12-21-24(3)14-17)13-23(2)20(26)19(25)15-8-5-4-6-9-15/h4-6,8-9,12,14,16,18-19,25H,7,10-11,13H2,1-3H3/t16-,18+,19+/m0/s1
InChIKeyMRPLDIMZJOKLBI-QXAKKESOSA-N
XLogP2.00
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide (CID 128974235) is (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide?
The InChIKey is MRPLDIMZJOKLBI-QXAKKESOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22-11-7-10-16(18(22)17-12-21-24(3)14-17)13-23(2)20(26)19(25)15-8-5-4-6-9-15/h4-6,8-9,12,14,16,18-19,25H,7,10-11,13H2,1-3H3/t16-,18+,19+/m0/s1.
What are the key properties of (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide?
(2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide has a molecular weight of 356.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 128974235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).