1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide

C17H25ClN2O3 — CID 75521225

IUPAC1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(O)COc2cc(C)ccc2Cl)C1
InChIInChI=1S/C17H25ClN2O3/c1-12-5-6-15(18)16(8-12)23-11-14(21)10-20-7-3-4-13(9-20)17(22)19-2/h5-6,8,13-14,21H,3-4,7,9-11H2,1-2H3,(H,19,22)
InChIKeyMLFVVIVGFOBILE-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.85
Rot. Bonds6

About 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide

1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide (PubChem CID 75521225) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
PubChem CID75521225
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(O)COc2cc(C)ccc2Cl)C1
InChIInChI=1S/C17H25ClN2O3/c1-12-5-6-15(18)16(8-12)23-11-14(21)10-20-7-3-4-13(9-20)17(22)19-2/h5-6,8,13-14,21H,3-4,7,9-11H2,1-2H3,(H,19,22)
InChIKeyMLFVVIVGFOBILE-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
(3R,4S)-1-[(2R)-3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-4-methylpiperidin-3-ol
CID 100895072
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
ethyl 1-[2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidine-3-carboxylate
CID 16807234
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide
CID 75504369
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 87013245
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]cyclobutanecarboxamide
CID 10226384
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
CID 107263994
3-[1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]propanamide
CID 110924117
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-1,4-diazepan-5-one
CID 75504368

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide (CID 75521225) is 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CC(O)COc2cc(C)ccc2Cl)C1.
What is the InChIKey of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is MLFVVIVGFOBILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12-5-6-15(18)16(8-12)23-11-14(21)10-20-7-3-4-13(9-20)17(22)19-2/h5-6,8,13-14,21H,3-4,7,9-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 75521225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).