N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide

C20H31N3O4 — CID 119830138

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCCN2)N2CCOCC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-25-18-7-6-15(13-19(18)26-2)17(23-9-11-27-12-10-23)14-22-20(24)16-5-3-4-8-21-16/h6-7,13,16-17,21H,3-5,8-12,14H2,1-2H3,(H,22,24)
InChIKeyPOTAMCGGAMRDSH-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.34
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide (PubChem CID 119830138) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
PubChem CID119830138
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCCN2)N2CCOCC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-25-18-7-6-15(13-19(18)26-2)17(23-9-11-27-12-10-23)14-22-20(24)16-5-3-4-8-21-16/h6-7,13,16-17,21H,3-5,8-12,14H2,1-2H3,(H,22,24)
InChIKeyPOTAMCGGAMRDSH-UHFFFAOYSA-N
XLogP1.34
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 119830140
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646232
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24647082
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110933783

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide (CID 119830138) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide is COc1ccc(C(CNC(=O)C2CCCCN2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
The InChIKey is POTAMCGGAMRDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-25-18-7-6-15(13-19(18)26-2)17(23-9-11-27-12-10-23)14-22-20(24)16-5-3-4-8-21-16/h6-7,13,16-17,21H,3-5,8-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide is sourced from PubChem (CID 119830138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).