2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H23F3N4O2 — CID 71869798

IUPAC2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H23F3N4O2/c1-20(9-14(15,16)17)12(22)8-18-13(23)19-10-4-6-21(7-5-10)11-2-3-11/h10-11H,2-9H2,1H3,(H2,18,19,23)
InChIKeyCHRIXZCOAFGXJC-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.93
Rot. Bonds5

About 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71869798) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71869798
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H23F3N4O2/c1-20(9-14(15,16)17)12(22)8-18-13(23)19-10-4-6-21(7-5-10)11-2-3-11/h10-11H,2-9H2,1H3,(H2,18,19,23)
InChIKeyCHRIXZCOAFGXJC-UHFFFAOYSA-N
XLogP0.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71869798) is 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CHRIXZCOAFGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2/c1-20(9-14(15,16)17)12(22)8-18-13(23)19-10-4-6-21(7-5-10)11-2-3-11/h10-11H,2-9H2,1H3,(H2,18,19,23).
What are the key properties of 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71869798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).