4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C21H33N3O5 — CID 53057634

IUPAC4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)CC1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H33N3O5/c1-5-6-9-22-19(25)12-15-7-10-24(11-8-15)21(26)23-16-13-17(27-2)20(29-4)18(14-16)28-3/h13-15H,5-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyLBLUGKCZCVGJTG-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.26
Rot. Bonds9

About 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 53057634) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID53057634
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Name4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)CC1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H33N3O5/c1-5-6-9-22-19(25)12-15-7-10-24(11-8-15)21(26)23-16-13-17(27-2)20(29-4)18(14-16)28-3/h13-15H,5-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyLBLUGKCZCVGJTG-UHFFFAOYSA-N
XLogP3.26
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.26
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

4-[2-[(4-methylsulfanylphenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057646
4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057643
4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53198889
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 46089269
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295149
4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998803
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 53057634) is 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is CCCCNC(=O)CC1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is LBLUGKCZCVGJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-5-6-9-22-19(25)12-15-7-10-24(11-8-15)21(26)23-16-13-17(27-2)20(29-4)18(14-16)28-3/h13-15H,5-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53057634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).