N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C19H30ClN3O5 — CID 119711915

IUPACN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1.Cl
InChIInChI=1S/C19H29N3O5.ClH/c1-25-10-7-20-13-18(23)21-15-12-17(27-3)16(26-2)11-14(15)19(24)22-8-5-4-6-9-22;/h11-12,20H,4-10,13H2,1-3H3,(H,21,23);1H
InChIKeyFLJJUVGJPVJRLO-UHFFFAOYSA-N
MW415.92 g/mol
LogP1.93
Rot. Bonds9

About N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119711915) has the molecular formula C19H30ClN3O5 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119711915
Molecular FormulaC19H30ClN3O5
Molecular Weight415.92 g/mol
Exact Mass415.19
IUPAC NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1.Cl
InChIInChI=1S/C19H29N3O5.ClH/c1-25-10-7-20-13-18(23)21-15-12-17(27-3)16(26-2)11-14(15)19(24)22-8-5-4-6-9-22;/h11-12,20H,4-10,13H2,1-3H3,(H,21,23);1H
InChIKeyFLJJUVGJPVJRLO-UHFFFAOYSA-N
XLogP1.93
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
2-methoxyethyl 5-[[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55760995
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 55639621
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55640010

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119711915) is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1.Cl.
What is the InChIKey of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is FLJJUVGJPVJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5.ClH/c1-25-10-7-20-13-18(23)21-15-12-17(27-3)16(26-2)11-14(15)19(24)22-8-5-4-6-9-22;/h11-12,20H,4-10,13H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119711915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).