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

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Related Compounds

N-(2-adamantyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 2941980
1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 136577033
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37472472
2-[4-(2-adamantylamino)piperidin-1-yl]-N-phenylacetamide
CID 112823323
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-(2-bicyclo[2.2.1]heptanyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24845342
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114

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).