N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide

C19H26N4O2 — CID 125417085

IUPACN-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2nccn2C)CC[C@@]1(C)O
InChIInChI=1S/C19H26N4O2/c1-14(24)21-18-17(15-7-5-4-6-8-15)23(11-9-19(18,2)25)13-16-20-10-12-22(16)3/h4-8,10,12,17-18,25H,9,11,13H2,1-3H3,(H,21,24)/t17-,18-,19+/m0/s1
InChIKeyBFTYKMBZTDSGSP-GBESFXJTSA-N
MW342.44 g/mol
LogP1.62
Rot. Bonds4

About N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide

N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide (PubChem CID 125417085) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
PubChem CID125417085
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2nccn2C)CC[C@@]1(C)O
InChIInChI=1S/C19H26N4O2/c1-14(24)21-18-17(15-7-5-4-6-8-15)23(11-9-19(18,2)25)13-16-20-10-12-22(16)3/h4-8,10,12,17-18,25H,9,11,13H2,1-3H3,(H,21,24)/t17-,18-,19+/m0/s1
InChIKeyBFTYKMBZTDSGSP-GBESFXJTSA-N
XLogP1.62
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide (CID 125417085) is N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide is CC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2nccn2C)CC[C@@]1(C)O.
What is the InChIKey of N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide?
The InChIKey is BFTYKMBZTDSGSP-GBESFXJTSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(24)21-18-17(15-7-5-4-6-8-15)23(11-9-19(18,2)25)13-16-20-10-12-22(16)3/h4-8,10,12,17-18,25H,9,11,13H2,1-3H3,(H,21,24)/t17-,18-,19+/m0/s1.
What are the key properties of N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide?
N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide is sourced from PubChem (CID 125417085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).