N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C18H31Cl2N3O3 — CID 119845776

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2cccc(OCCN(C)C)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O3.2ClH/c1-21(2)11-12-24-16-6-4-5-15(13-16)14-20-17(22)18(23-3)7-9-19-10-8-18;;/h4-6,13,19H,7-12,14H2,1-3H3,(H,20,22);2*1H
InChIKeyIWWAYXXWWYTUOZ-UHFFFAOYSA-N
MW408.37 g/mol
LogP1.86
Rot. Bonds8

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119845776) has the molecular formula C18H31Cl2N3O3 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119845776
Molecular FormulaC18H31Cl2N3O3
Molecular Weight408.37 g/mol
Exact Mass407.17
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2cccc(OCCN(C)C)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O3.2ClH/c1-21(2)11-12-24-16-6-4-5-15(13-16)14-20-17(22)18(23-3)7-9-19-10-8-18;;/h4-6,13,19H,7-12,14H2,1-3H3,(H,20,22);2*1H
InChIKeyIWWAYXXWWYTUOZ-UHFFFAOYSA-N
XLogP1.86
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
methyl 4-[4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]butanoate
CID 119787961
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119845776) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCc2cccc(OCCN(C)C)c2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is IWWAYXXWWYTUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.2ClH/c1-21(2)11-12-24-16-6-4-5-15(13-16)14-20-17(22)18(23-3)7-9-19-10-8-18;;/h4-6,13,19H,7-12,14H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119845776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).