1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide

C17H25ClN2O3 — CID 75504369

IUPAC1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(Cl)c(OCC(O)CN2CC(C(N)=O)CCC2C)c1
InChIInChI=1S/C17H25ClN2O3/c1-11-3-6-15(18)16(7-11)23-10-14(21)9-20-8-13(17(19)22)5-4-12(20)2/h3,6-7,12-14,21H,4-5,8-10H2,1-2H3,(H2,19,22)
InChIKeyZCLIWDGPXNGREQ-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.97
Rot. Bonds6

About 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide

1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide (PubChem CID 75504369) 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]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide
PubChem CID75504369
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(Cl)c(OCC(O)CN2CC(C(N)=O)CCC2C)c1
InChIInChI=1S/C17H25ClN2O3/c1-11-3-6-15(18)16(7-11)23-10-14(21)9-20-8-13(17(19)22)5-4-12(20)2/h3,6-7,12-14,21H,4-5,8-10H2,1-2H3,(H2,19,22)
InChIKeyZCLIWDGPXNGREQ-UHFFFAOYSA-N
XLogP1.97
TPSA75.79 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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-[(2R)-3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-4-methylpiperidin-3-ol
CID 100895072
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 75521225
1-(3-amino-2-hydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 104643418
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-1,4-diazepan-5-one
CID 75504368
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
1-[2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidine-4-carboxamide
CID 2809886
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
1-[(2R)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide
CID 6926944
2-(2-chloro-5-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403512
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide (CID 75504369) is 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide is Cc1ccc(Cl)c(OCC(O)CN2CC(C(N)=O)CCC2C)c1.
What is the InChIKey of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is ZCLIWDGPXNGREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11-3-6-15(18)16(7-11)23-10-14(21)9-20-8-13(17(19)22)5-4-12(20)2/h3,6-7,12-14,21H,4-5,8-10H2,1-2H3,(H2,19,22).
What are the key properties of 1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide?
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 1.97, 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]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 75504369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).