1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid

C10H18F3N3O3 — CID 174864517

IUPAC1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)NC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-2-10-8(12)11-7-3-5-9-6-4-7;3-2(4,5)1(6)7/h7,9H,2-6H2,1H3,(H2,10,11,12);(H,6,7)
InChIKeyMPXDYQYVHKOEND-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.69
Rot. Bonds2

About 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid

1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid (PubChem CID 174864517) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
PubChem CID174864517
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Name1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)NC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-2-10-8(12)11-7-3-5-9-6-4-7;3-2(4,5)1(6)7/h7,9H,2-6H2,1H3,(H2,10,11,12);(H,6,7)
InChIKeyMPXDYQYVHKOEND-UHFFFAOYSA-N
XLogP0.69
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
1-piperidin-4-yl-3-(trifluoromethyl)urea
CID 174597636
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 66003003
1-methyl-3-piperidin-4-ylurea
CID 18759970
1-(dimethylamino)-3-piperidin-4-ylurea
CID 174543793
1-ethyl-3-(2-piperidin-4-ylethyl)urea
CID 60903315
1-(2,2-dimethoxyethyl)-3-piperidin-4-ylurea
CID 141131312
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid (CID 174864517) is 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid is CCNC(=O)NC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid?
The InChIKey is MPXDYQYVHKOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.C2HF3O2/c1-2-10-8(12)11-7-3-5-9-6-4-7;3-2(4,5)1(6)7/h7,9H,2-6H2,1H3,(H2,10,11,12);(H,6,7).
What are the key properties of 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid?
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid has a molecular weight of 285.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174864517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).