1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide

C20H32N2O3 — CID 110882716

IUPAC1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)16-5-7-18(8-6-16)25-14-17(23)13-22-11-9-15(10-12-22)19(24)21-4/h5-8,15,17,23H,9-14H2,1-4H3,(H,21,24)
InChIKeyDXTIFKCYEVCOLO-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.18
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide

1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide (PubChem CID 110882716) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
PubChem CID110882716
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)16-5-7-18(8-6-16)25-14-17(23)13-22-11-9-15(10-12-22)19(24)21-4/h5-8,15,17,23H,9-14H2,1-4H3,(H,21,24)
InChIKeyDXTIFKCYEVCOLO-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
CID 166238845
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxamide
CID 3519556
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-propylacetamide
CID 32526909
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
1-(azepan-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807362
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
(2S)-1-(4-tert-butylphenoxy)-3-[3-(hydroxymethyl)azetidin-1-yl]propan-2-ol
CID 97307841

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide (CID 110882716) is 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC(O)COc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is DXTIFKCYEVCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,3)16-5-7-18(8-6-16)25-14-17(23)13-22-11-9-15(10-12-22)19(24)21-4/h5-8,15,17,23H,9-14H2,1-4H3,(H,21,24).
What are the key properties of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide?
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110882716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).