N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide

C21H33N3O2 — CID 136576852

IUPACN-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CC2)CC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H33N3O2/c25-19(23-20-16-8-13-7-14(10-16)11-17(20)9-13)12-24-5-3-18(4-6-24)22-21(26)15-1-2-15/h13-18,20H,1-12H2,(H,22,26)(H,23,25)
InChIKeyWHIIJQCUOQAMBI-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.92
Rot. Bonds5

About N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 136576852) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID136576852
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CC2)CC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H33N3O2/c25-19(23-20-16-8-13-7-14(10-16)11-17(20)9-13)12-24-5-3-18(4-6-24)22-21(26)15-1-2-15/h13-18,20H,1-12H2,(H,22,26)(H,23,25)
InChIKeyWHIIJQCUOQAMBI-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide (CID 136576852) is N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(CN1CCC(NC(=O)C2CC2)CC1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is WHIIJQCUOQAMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c25-19(23-20-16-8-13-7-14(10-16)11-17(20)9-13)12-24-5-3-18(4-6-24)22-21(26)15-1-2-15/h13-18,20H,1-12H2,(H,22,26)(H,23,25).
What are the key properties of N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 359.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 136576852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).