1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea

C14H22F3N3O2 — CID 124588447

IUPAC1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C14H22F3N3O2/c15-14(16,17)9-18-13(22)19-11-6-7-20(8-11)12(21)10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,18,19,22)/t11-/m0/s1
InChIKeyGTDFWEHZLCNYHK-NSHDSACASA-N
MW321.34 g/mol
LogP2.03
Rot. Bonds3

About 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea

1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 124588447) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID124588447
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C14H22F3N3O2/c15-14(16,17)9-18-13(22)19-11-6-7-20(8-11)12(21)10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,18,19,22)/t11-/m0/s1
InChIKeyGTDFWEHZLCNYHK-NSHDSACASA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
CID 95051746
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119808791
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119808786
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea (CID 124588447) is 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GTDFWEHZLCNYHK-NSHDSACASA-N. The full InChI is InChI=1S/C14H22F3N3O2/c15-14(16,17)9-18-13(22)19-11-6-7-20(8-11)12(21)10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,18,19,22)/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea?
1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 321.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 124588447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).