N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C18H29N3O3 — CID 119831064

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2(OC)CCNCC2)N(C)C)c1
InChIInChI=1S/C18H29N3O3/c1-21(2)16(14-6-5-7-15(12-14)23-3)13-20-17(22)18(24-4)8-10-19-11-9-18/h5-7,12,16,19H,8-11,13H2,1-4H3,(H,20,22)
InChIKeyHJCCUYYLUVGWEH-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.18
Rot. Bonds7

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119831064) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119831064
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2(OC)CCNCC2)N(C)C)c1
InChIInChI=1S/C18H29N3O3/c1-21(2)16(14-6-5-7-15(12-14)23-3)13-20-17(22)18(24-4)8-10-19-11-9-18/h5-7,12,16,19H,8-11,13H2,1-4H3,(H,20,22)
InChIKeyHJCCUYYLUVGWEH-UHFFFAOYSA-N
XLogP1.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119850677
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831132
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 95268454
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119831064) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COc1cccc(C(CNC(=O)C2(OC)CCNCC2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is HJCCUYYLUVGWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-21(2)16(14-6-5-7-15(12-14)23-3)13-20-17(22)18(24-4)8-10-19-11-9-18/h5-7,12,16,19H,8-11,13H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119831064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).