(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide

C21H26N2O2 — CID 98848393

IUPAC(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-20(19-11-5-2-6-12-19)21(25)22-14-18-10-7-13-23(16-18)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,18,20,24H,7,10,13-16H2,(H,22,25)/t18-,20+/m1/s1
InChIKeyQLYPCSLWNPMFKQ-QUCCMNQESA-N
MW338.45 g/mol
LogP2.75
Rot. Bonds6

About (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide

(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 98848393) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
PubChem CID98848393
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-20(19-11-5-2-6-12-19)21(25)22-14-18-10-7-13-23(16-18)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,18,20,24H,7,10,13-16H2,(H,22,25)/t18-,20+/m1/s1
InChIKeyQLYPCSLWNPMFKQ-QUCCMNQESA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506504
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 97226935
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide (CID 98848393) is (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide is O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is QLYPCSLWNPMFKQ-QUCCMNQESA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(19-11-5-2-6-12-19)21(25)22-14-18-10-7-13-23(16-18)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,18,20,24H,7,10,13-16H2,(H,22,25)/t18-,20+/m1/s1.
What are the key properties of (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide?
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 98848393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).