N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H23Cl3N2O4 — CID 119751860

IUPACN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(O)COc2cccc(Cl)c2Cl)CCNCC1.Cl
InChIInChI=1S/C16H22Cl2N2O4.ClH/c1-23-16(5-7-19-8-6-16)15(22)20-9-11(21)10-24-13-4-2-3-12(17)14(13)18;/h2-4,11,19,21H,5-10H2,1H3,(H,20,22);1H
InChIKeyGTLGOXGNJQWGSR-UHFFFAOYSA-N
MW413.73 g/mol
LogP2.04
Rot. Bonds7

About N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119751860) has the molecular formula C16H23Cl3N2O4 and a molecular weight of 413.73 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119751860
Molecular FormulaC16H23Cl3N2O4
Molecular Weight413.73 g/mol
Exact Mass412.07
IUPAC NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(O)COc2cccc(Cl)c2Cl)CCNCC1.Cl
InChIInChI=1S/C16H22Cl2N2O4.ClH/c1-23-16(5-7-19-8-6-16)15(22)20-9-11(21)10-24-13-4-2-3-12(17)14(13)18;/h2-4,11,19,21H,5-10H2,1H3,(H,20,22);1H
InChIKeyGTLGOXGNJQWGSR-UHFFFAOYSA-N
XLogP2.04
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.73
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751814
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119783577
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119751860) is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC(O)COc2cccc(Cl)c2Cl)CCNCC1.Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is GTLGOXGNJQWGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4.ClH/c1-23-16(5-7-19-8-6-16)15(22)20-9-11(21)10-24-13-4-2-3-12(17)14(13)18;/h2-4,11,19,21H,5-10H2,1H3,(H,20,22);1H.
What are the key properties of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 413.73 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119751860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).