N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide

C18H33N3O3 — CID 25489239

IUPACN-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-24-14-11-19-17(22)8-7-15-9-12-21(13-10-15)18(23)20-16-5-3-2-4-6-16/h15-16H,2-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyNUHWONBWTYRYPQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.28
Rot. Bonds7

About N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide

N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 25489239) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
PubChem CID25489239
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-24-14-11-19-17(22)8-7-15-9-12-21(13-10-15)18(23)20-16-5-3-2-4-6-16/h15-16H,2-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyNUHWONBWTYRYPQ-UHFFFAOYSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide (CID 25489239) is N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide is COCCNC(=O)CCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is NUHWONBWTYRYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-24-14-11-19-17(22)8-7-15-9-12-21(13-10-15)18(23)20-16-5-3-2-4-6-16/h15-16H,2-14H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 25489239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).