N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C20H30F3N3O2 — CID 17484917

IUPACN-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(C(F)(F)F)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30F3N3O2/c21-20(22,23)16-2-1-4-26(12-16)5-3-17(27)24-18(28)25-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H2,24,25,27,28)
InChIKeyGQQQBFJBUIXNBI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.45
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 17484917) has the molecular formula C20H30F3N3O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID17484917
Molecular FormulaC20H30F3N3O2
Molecular Weight401.47 g/mol
Exact Mass401.23
IUPAC NameN-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(C(F)(F)F)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30F3N3O2/c21-20(22,23)16-2-1-4-26(12-16)5-3-17(27)24-18(28)25-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H2,24,25,27,28)
InChIKeyGQQQBFJBUIXNBI-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 17484917) is N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide is O=C(CCN1CCCC(C(F)(F)F)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is GQQQBFJBUIXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O2/c21-20(22,23)16-2-1-4-26(12-16)5-3-17(27)24-18(28)25-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H2,24,25,27,28).
What are the key properties of N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 401.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 17484917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).