1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea

C15H24F3N3O2 — CID 97095074

IUPAC1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
SMILESCCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C15H24F3N3O2/c1-2-13(22)21-7-6-12(9-21)20-14(23)19-11-5-3-4-10(8-11)15(16,17)18/h10-12H,2-9H2,1H3,(H2,19,20,23)/t10-,11-,12-/m0/s1
InChIKeyUAGREWBEJWTGKM-SRVKXCTJSA-N
MW335.37 g/mol
LogP2.42
Rot. Bonds3

About 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea

1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 97095074) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID97095074
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
SMILESCCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C15H24F3N3O2/c1-2-13(22)21-7-6-12(9-21)20-14(23)19-11-5-3-4-10(8-11)15(16,17)18/h10-12H,2-9H2,1H3,(H2,19,20,23)/t10-,11-,12-/m0/s1
InChIKeyUAGREWBEJWTGKM-SRVKXCTJSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

1-[(3S)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-1-yl]propan-1-one
CID 129430039
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55744663
4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 94050688
4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 86927593
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
4-[[(1-propanoylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122006815
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
4-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 55517058

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea (CID 97095074) is 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea is CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1.
What is the InChIKey of 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is UAGREWBEJWTGKM-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-2-13(22)21-7-6-12(9-21)20-14(23)19-11-5-3-4-10(8-11)15(16,17)18/h10-12H,2-9H2,1H3,(H2,19,20,23)/t10-,11-,12-/m0/s1.
What are the key properties of 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea?
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 335.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 97095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).