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

C16H23ClN2O3 — CID 111113624

IUPAC1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O3/c1-18-16(21)12-3-2-8-19(9-12)10-14(20)11-22-15-6-4-13(17)5-7-15/h4-7,12,14,20H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyPPQOQSOFCOEVHE-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.54
Rot. Bonds6

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

1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide (PubChem CID 111113624) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
PubChem CID111113624
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O3/c1-18-16(21)12-3-2-8-19(9-12)10-14(20)11-22-15-6-4-13(17)5-7-15/h4-7,12,14,20H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyPPQOQSOFCOEVHE-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 75521225
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 87013245
1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
CID 107263994
1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110909722
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
ethyl (3S)-1-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-3-carboxylate
CID 7187794
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide (CID 111113624) is 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CC(O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is PPQOQSOFCOEVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-18-16(21)12-3-2-8-19(9-12)10-14(20)11-22-15-6-4-13(17)5-7-15/h4-7,12,14,20H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide?
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 111113624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).