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

C15H21F3N2O3 — CID 110873077

IUPACN-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N(C1CCOCC1)C1CC1
InChIInChI=1S/C15H21F3N2O3/c16-15(17,18)14(22)19-7-1-2-12(19)13(21)20(10-3-4-10)11-5-8-23-9-6-11/h10-12H,1-9H2
InChIKeyCNMHCNNUDLSTEZ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.71
Rot. Bonds3

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

N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110873077) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110873077
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1C(=O)C(F)(F)F)N(C1CCOCC1)C1CC1
InChIInChI=1S/C15H21F3N2O3/c16-15(17,18)14(22)19-7-1-2-12(19)13(21)20(10-3-4-10)11-5-8-23-9-6-11/h10-12H,1-9H2
InChIKeyCNMHCNNUDLSTEZ-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110872998
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 10618638
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110867880
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 91724240
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110873077) is N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(C1CCCN1C(=O)C(F)(F)F)N(C1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is CNMHCNNUDLSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c16-15(17,18)14(22)19-7-1-2-12(19)13(21)20(10-3-4-10)11-5-8-23-9-6-11/h10-12H,1-9H2.
What are the key properties of N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110873077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).