1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

C19H29N3O4 — CID 16909550

IUPAC1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H29N3O4/c1-4-9-20-19(24)14-7-10-22(11-8-14)13-18(23)21-15-5-6-16(25-2)17(12-15)26-3/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyLOUGTJPSXUDUMO-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.88
Rot. Bonds8

About 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 16909550) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
PubChem CID16909550
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H29N3O4/c1-4-9-20-19(24)14-7-10-22(11-8-14)13-18(23)21-15-5-6-16(25-2)17(12-15)26-3/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyLOUGTJPSXUDUMO-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 16909562
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 16909583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide (CID 16909550) is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is LOUGTJPSXUDUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-9-20-19(24)14-7-10-22(11-8-14)13-18(23)21-15-5-6-16(25-2)17(12-15)26-3/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide?
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 16909550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).