4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide

C18H27N3O3 — CID 91913194

IUPAC4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
SMILESCOCCC(=O)NCCC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-24-14-10-17(22)19-11-7-15-8-12-21(13-9-15)18(23)20-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyLZIWJMICRBIJST-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.47
Rot. Bonds7

About 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide

4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 91913194) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID91913194
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
SMILESCOCCC(=O)NCCC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-24-14-10-17(22)19-11-7-15-8-12-21(13-9-15)18(23)20-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyLZIWJMICRBIJST-UHFFFAOYSA-N
XLogP2.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75400177
N-phenyl-4-[2-(thiophene-3-carbonylamino)ethyl]piperidine-1-carboxamide
CID 91903510
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285
N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093800
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide (CID 91913194) is 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide is COCCC(=O)NCCC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is LZIWJMICRBIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-14-10-17(22)19-11-7-15-8-12-21(13-9-15)18(23)20-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide?
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 91913194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).