N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C17H25ClN2O6 — CID 119751814

IUPACN-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(O)COc2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C17H24N2O6.ClH/c1-22-17(4-6-18-7-5-17)16(21)19-9-12(20)10-23-13-2-3-14-15(8-13)25-11-24-14;/h2-3,8,12,18,20H,4-7,9-11H2,1H3,(H,19,21);1H
InChIKeyXYSHEUCIBWGMAJ-UHFFFAOYSA-N
MW388.85 g/mol
LogP0.46
Rot. Bonds7

About N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119751814) has the molecular formula C17H25ClN2O6 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119751814
Molecular FormulaC17H25ClN2O6
Molecular Weight388.85 g/mol
Exact Mass388.14
IUPAC NameN-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(O)COc2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C17H24N2O6.ClH/c1-22-17(4-6-18-7-5-17)16(21)19-9-12(20)10-23-13-2-3-14-15(8-13)25-11-24-14;/h2-3,8,12,18,20H,4-7,9-11H2,1H3,(H,19,21);1H
InChIKeyXYSHEUCIBWGMAJ-UHFFFAOYSA-N
XLogP0.46
TPSA98.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119735567
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
CID 119751829
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119305067
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751860
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4,4-difluoro-2,2-dimethylcyclohexane-1-carboxamide
CID 166373622
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119751804
4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
CID 119305084
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
CID 94796566
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-cyanophenoxy)acetamide
CID 47930494
N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119751814) is N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC(O)COc2ccc3c(c2)OCO3)CCNCC1.Cl.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is XYSHEUCIBWGMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6.ClH/c1-22-17(4-6-18-7-5-17)16(21)19-9-12(20)10-23-13-2-3-14-15(8-13)25-11-24-14;/h2-3,8,12,18,20H,4-7,9-11H2,1H3,(H,19,21);1H.
What are the key properties of N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119751814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).