N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide

C9H14F3N3O3 — CID 113341335

IUPACN-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESNC(=O)NC(=O)CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)8(18)1-3-15(4-2-8)5-6(16)14-7(13)17/h18H,1-5H2,(H3,13,14,16,17)
InChIKeyGNHFINUIGPUGQD-UHFFFAOYSA-N
MW269.22 g/mol
LogP-0.43
Rot. Bonds2

About N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide

N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 113341335) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID113341335
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC NameN-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESNC(=O)NC(=O)CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)8(18)1-3-15(4-2-8)5-6(16)14-7(13)17/h18H,1-5H2,(H3,13,14,16,17)
InChIKeyGNHFINUIGPUGQD-UHFFFAOYSA-N
XLogP-0.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide (CID 113341335) is N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide is NC(=O)NC(=O)CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is GNHFINUIGPUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c10-9(11,12)8(18)1-3-15(4-2-8)5-6(16)14-7(13)17/h18H,1-5H2,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide?
N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 269.22 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 113341335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).