1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide

C23H37N3O3 — CID 55852879

IUPAC1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H37N3O3/c1-5-29-16-6-13-24-22(28)18-11-14-26(15-12-18)17-21(27)25-20-9-7-19(8-10-20)23(2,3)4/h7-10,18H,5-6,11-17H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyBNEAKEJYAOCKCK-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.18
Rot. Bonds9

About 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 55852879) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID55852879
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H37N3O3/c1-5-29-16-6-13-24-22(28)18-11-14-26(15-12-18)17-21(27)25-20-9-7-19(8-10-20)23(2,3)4/h7-10,18H,5-6,11-17H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyBNEAKEJYAOCKCK-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86986547
N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 55663165
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742171
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906651
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 55852879) is 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is BNEAKEJYAOCKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-5-29-16-6-13-24-22(28)18-11-14-26(15-12-18)17-21(27)25-20-9-7-19(8-10-20)23(2,3)4/h7-10,18H,5-6,11-17H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55852879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).