1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide

C19H29N3O4 — CID 119507447

IUPAC1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
SMILESCCNCCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C19H29N3O4/c1-4-20-7-8-21-18(23)14-5-9-22(10-6-14)19(24)15-11-16(25-2)13-17(12-15)26-3/h11-14,20H,4-10H2,1-3H3,(H,21,23)
InChIKeyISSZBFZQLBOVRO-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.28
Rot. Bonds8

About 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 119507447) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
PubChem CID119507447
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
SMILESCCNCCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C19H29N3O4/c1-4-20-7-8-21-18(23)14-5-9-22(10-6-14)19(24)15-11-16(25-2)13-17(12-15)26-3/h11-14,20H,4-10H2,1-3H3,(H,21,23)
InChIKeyISSZBFZQLBOVRO-UHFFFAOYSA-N
XLogP1.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 120505350
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472906
N-[(2,4-dichlorophenyl)methyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126060422
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide (CID 119507447) is 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide is CCNCCNC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is ISSZBFZQLBOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-20-7-8-21-18(23)14-5-9-22(10-6-14)19(24)15-11-16(25-2)13-17(12-15)26-3/h11-14,20H,4-10H2,1-3H3,(H,21,23).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119507447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).