(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide

C20H31N3O2 — CID 99820905

IUPAC(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C20H31N3O2/c1-22(20(25)18-8-5-11-21-18)14-16-9-12-23(13-10-16)15-19(24)17-6-3-2-4-7-17/h2-4,6-7,16,18-19,21,24H,5,8-15H2,1H3/t18-,19-/m1/s1
InChIKeyMFRBRZRTKUCDMR-RTBURBONSA-N
MW345.49 g/mol
LogP1.64
Rot. Bonds6

About (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide

(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 99820905) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID99820905
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C20H31N3O2/c1-22(20(25)18-8-5-11-21-18)14-16-9-12-23(13-10-16)15-19(24)17-6-3-2-4-7-17/h2-4,6-7,16,18-19,21,24H,5,8-15H2,1H3/t18-,19-/m1/s1
InChIKeyMFRBRZRTKUCDMR-RTBURBONSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 99820905) is (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide is CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MFRBRZRTKUCDMR-RTBURBONSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(20(25)18-8-5-11-21-18)14-16-9-12-23(13-10-16)15-19(24)17-6-3-2-4-7-17/h2-4,6-7,16,18-19,21,24H,5,8-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 99820905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).