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

C19H28IN3O3 — CID 55663286

IUPACN-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C19H28IN3O3/c1-2-26-13-5-10-21-19(25)15-8-11-23(12-9-15)14-18(24)22-17-7-4-3-6-16(17)20/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyFKDDGXVXPZHCDG-UHFFFAOYSA-N
MW473.36 g/mol
LogP2.48
Rot. Bonds9

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

N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55663286) has the molecular formula C19H28IN3O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55663286
Molecular FormulaC19H28IN3O3
Molecular Weight473.36 g/mol
Exact Mass473.12
IUPAC NameN-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C19H28IN3O3/c1-2-26-13-5-10-21-19(25)15-8-11-23(12-9-15)14-18(24)22-17-7-4-3-6-16(17)20/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyFKDDGXVXPZHCDG-UHFFFAOYSA-N
XLogP2.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 55663165
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55852879
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119909750
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 55663286) is N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(CC(=O)Nc2ccccc2I)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is FKDDGXVXPZHCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28IN3O3/c1-2-26-13-5-10-21-19(25)15-8-11-23(12-9-15)14-18(24)22-17-7-4-3-6-16(17)20/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 473.36 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55663286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).