ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate

C16H24F3N3O4 — CID 110344238

IUPACethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)CC1
InChIInChI=1S/C16H24F3N3O4/c1-2-26-15(25)21-8-5-12(6-9-21)20-13(23)11-4-3-7-22(10-11)14(24)16(17,18)19/h11-12H,2-10H2,1H3,(H,20,23)
InChIKeyKNDWOUCTWBAAHX-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.52
Rot. Bonds3

About ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 110344238) has the molecular formula C16H24F3N3O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID110344238
Molecular FormulaC16H24F3N3O4
Molecular Weight379.38 g/mol
Exact Mass379.17
IUPAC Nameethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)CC1
InChIInChI=1S/C16H24F3N3O4/c1-2-26-15(25)21-8-5-12(6-9-21)20-13(23)11-4-3-7-22(10-11)14(24)16(17,18)19/h11-12H,2-10H2,1H3,(H,20,23)
InChIKeyKNDWOUCTWBAAHX-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]piperidine-1-carboxylate
CID 172434649
1'-(cyclopropylcarbonyl)-N-(2,2,2-trifluoroethyl)-1,4'-bipiperidine-3-carboxamide
CID 45203001
Ethyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 47022655
(2,2,2-trifluoroacetyl) 3-[methyl-[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 88151769
5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 140792818
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 25380569
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 25380575
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 49072253
Tert-butyl 3-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 56154993
N-cyclopropyl-1'-(3,3,3-trifluoropropanoyl)-1,4'-bipiperidine-3-carboxamide
CID 74229943
1-(1-morpholin-4-ylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 84596247
(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97125274

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 110344238) is ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)CC1.
What is the InChIKey of ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is KNDWOUCTWBAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O4/c1-2-26-15(25)21-8-5-12(6-9-21)20-13(23)11-4-3-7-22(10-11)14(24)16(17,18)19/h11-12H,2-10H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 379.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110344238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).