N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide

C20H32N2O3 — CID 111613868

IUPACN-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide
SMILESCC(C)(C)OCC(O)CN1CCCCC1CNC(=O)c1ccccc1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)25-15-18(23)14-22-12-8-7-11-17(22)13-21-19(24)16-9-5-4-6-10-16/h4-6,9-10,17-18,23H,7-8,11-15H2,1-3H3,(H,21,24)
InChIKeyAGAYQEIIBFJECJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.45
Rot. Bonds7

About N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide

N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide (PubChem CID 111613868) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide
PubChem CID111613868
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide
SMILESCC(C)(C)OCC(O)CN1CCCCC1CNC(=O)c1ccccc1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)25-15-18(23)14-22-12-8-7-11-17(22)13-21-19(24)16-9-5-4-6-10-16/h4-6,9-10,17-18,23H,7-8,11-15H2,1-3H3,(H,21,24)
InChIKeyAGAYQEIIBFJECJ-UHFFFAOYSA-N
XLogP2.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 54152625
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
N-[[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 167775933
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 96522341
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
methyl 3-[(2S)-3-[(2R)-2-ethylpiperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 7998324
(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
CID 96504371

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide (CID 111613868) is N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide is CC(C)(C)OCC(O)CN1CCCCC1CNC(=O)c1ccccc1.
What is the InChIKey of N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide?
The InChIKey is AGAYQEIIBFJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,3)25-15-18(23)14-22-12-8-7-11-17(22)13-21-19(24)16-9-5-4-6-10-16/h4-6,9-10,17-18,23H,7-8,11-15H2,1-3H3,(H,21,24).
What are the key properties of N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide?
N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide has a molecular weight of 348.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 111613868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).