N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide

C18H32N2O2 — CID 7673420

IUPACN-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide
SMILESCCCCCC(=O)N1CC[C@@H](CC(=O)NC2CC2)[C@@H](CC)C1
InChIInChI=1S/C18H32N2O2/c1-3-5-6-7-18(22)20-11-10-15(14(4-2)13-20)12-17(21)19-16-8-9-16/h14-16H,3-13H2,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyPLRONKIHEHCGDI-GJZGRUSLSA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds8

About N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide

N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide (PubChem CID 7673420) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide
PubChem CID7673420
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide
SMILESCCCCCC(=O)N1CC[C@@H](CC(=O)NC2CC2)[C@@H](CC)C1
InChIInChI=1S/C18H32N2O2/c1-3-5-6-7-18(22)20-11-10-15(14(4-2)13-20)12-17(21)19-16-8-9-16/h14-16H,3-13H2,1-2H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyPLRONKIHEHCGDI-GJZGRUSLSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide (CID 7673420) is N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide is CCCCCC(=O)N1CC[C@@H](CC(=O)NC2CC2)[C@@H](CC)C1.
What is the InChIKey of N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide?
The InChIKey is PLRONKIHEHCGDI-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-5-6-7-18(22)20-11-10-15(14(4-2)13-20)12-17(21)19-16-8-9-16/h14-16H,3-13H2,1-2H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide?
N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide has a molecular weight of 308.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetamide is sourced from PubChem (CID 7673420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).