N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C16H24F3N3O2 — CID 110872998

IUPACN-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCN1CCC(N(C(=O)C2CCCN2C(=O)C(F)(F)F)C2CC2)CC1
InChIInChI=1S/C16H24F3N3O2/c1-20-9-6-12(7-10-20)22(11-4-5-11)14(23)13-3-2-8-21(13)15(24)16(17,18)19/h11-13H,2-10H2,1H3
InChIKeyOQNBAZHKMVPARX-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.62
Rot. Bonds3

About N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110872998) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110872998
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC NameN-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCN1CCC(N(C(=O)C2CCCN2C(=O)C(F)(F)F)C2CC2)CC1
InChIInChI=1S/C16H24F3N3O2/c1-20-9-6-12(7-10-20)22(11-4-5-11)14(23)13-3-2-8-21(13)15(24)16(17,18)19/h11-13H,2-10H2,1H3
InChIKeyOQNBAZHKMVPARX-UHFFFAOYSA-N
XLogP1.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110872998) is N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CN1CCC(N(C(=O)C2CCCN2C(=O)C(F)(F)F)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is OQNBAZHKMVPARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-20-9-6-12(7-10-20)22(11-4-5-11)14(23)13-3-2-8-21(13)15(24)16(17,18)19/h11-13H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110872998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).