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

C17H27N3O3 — CID 119844483

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(OCCN(C)C)c2)CCNCC1
InChIInChI=1S/C17H27N3O3/c1-20(2)11-12-23-15-6-4-5-14(13-15)19-16(21)17(22-3)7-9-18-10-8-17/h4-6,13,18H,7-12H2,1-3H3,(H,19,21)
InChIKeyFXEXAQPJLPZJLW-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.33
Rot. Bonds7

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

N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119844483) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119844483
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(OCCN(C)C)c2)CCNCC1
InChIInChI=1S/C17H27N3O3/c1-20(2)11-12-23-15-6-4-5-14(13-15)19-16(21)17(22-3)7-9-18-10-8-17/h4-6,13,18H,7-12H2,1-3H3,(H,19,21)
InChIKeyFXEXAQPJLPZJLW-UHFFFAOYSA-N
XLogP1.33
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
4-methoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-4-carboxamide
CID 119846112
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119846179
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119841235
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
4-methoxy-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119720324
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide (CID 119844483) is N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2cccc(OCCN(C)C)c2)CCNCC1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is FXEXAQPJLPZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-20(2)11-12-23-15-6-4-5-14(13-15)19-16(21)17(22-3)7-9-18-10-8-17/h4-6,13,18H,7-12H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.33, 7 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]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119844483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).