N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide

C13H17F3N2O2 — CID 87105120

IUPACN-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(C(=O)C(F)(F)F)CC1)NCC1CC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)12(20)18-5-3-9(4-6-18)7-11(19)17-8-10-1-2-10/h7,10H,1-6,8H2,(H,17,19)
InChIKeyKCUAARGVGIADAX-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.62
Rot. Bonds3

About N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide

N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide (PubChem CID 87105120) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide
PubChem CID87105120
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(C(=O)C(F)(F)F)CC1)NCC1CC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)12(20)18-5-3-9(4-6-18)7-11(19)17-8-10-1-2-10/h7,10H,1-6,8H2,(H,17,19)
InChIKeyKCUAARGVGIADAX-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide (CID 87105120) is N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide is O=C(C=C1CCN(C(=O)C(F)(F)F)CC1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide?
The InChIKey is KCUAARGVGIADAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)12(20)18-5-3-9(4-6-18)7-11(19)17-8-10-1-2-10/h7,10H,1-6,8H2,(H,17,19).
What are the key properties of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide?
N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroacetyl)piperidin-4-ylidene]acetamide is sourced from PubChem (CID 87105120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).