1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea

C16H20F3N3O2 — CID 133134827

IUPAC1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1F)N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C16H20F3N3O2/c17-10-6-11(18)15(19)12(7-10)20-16(23)21-13-8-24-9-14(13)22-4-2-1-3-5-22/h6-7,13-14H,1-5,8-9H2,(H2,20,21,23)/t13-,14-/m1/s1
InChIKeyUXXZZAHQDAPCOM-ZIAGYGMSSA-N
MW343.35 g/mol
LogP2.48
Rot. Bonds3

About 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea

1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea (PubChem CID 133134827) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
PubChem CID133134827
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1F)N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C16H20F3N3O2/c17-10-6-11(18)15(19)12(7-10)20-16(23)21-13-8-24-9-14(13)22-4-2-1-3-5-22/h6-7,13-14H,1-5,8-9H2,(H2,20,21,23)/t13-,14-/m1/s1
InChIKeyUXXZZAHQDAPCOM-ZIAGYGMSSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133138704
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133129107
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 156607927
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118779891
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]piperidine-4-carboxamide
CID 122557604
1-[2-[(3S)-oxan-3-yl]ethyl]-3-(2,3,5-trifluorophenyl)urea
CID 125177285
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 118773864
1-[(3-methyloxetan-3-yl)methyl]-3-(2,3,5-trifluorophenyl)urea
CID 72859620
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea?
The IUPAC name of 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea (CID 133134827) is 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea.
What is the SMILES notation for 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea?
The canonical SMILES for 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1F)N[C@@H]1COC[C@H]1N1CCCCC1.
What is the InChIKey of 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea?
The InChIKey is UXXZZAHQDAPCOM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-10-6-11(18)15(19)12(7-10)20-16(23)21-13-8-24-9-14(13)22-4-2-1-3-5-22/h6-7,13-14H,1-5,8-9H2,(H2,20,21,23)/t13-,14-/m1/s1.
What are the key properties of 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea?
1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea has a molecular weight of 343.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea is sourced from PubChem (CID 133134827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).