3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea

C16H26F3N3O — CID 71974453

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea
SMILESO=C(NC1CCN2CCCCC12)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C16H26F3N3O/c17-16(18,19)7-10-22(11-12-4-5-12)15(23)20-13-6-9-21-8-2-1-3-14(13)21/h12-14H,1-11H2,(H,20,23)
InChIKeyHILXCUYLIQNYJQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.99
Rot. Bonds5

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea (PubChem CID 71974453) has the molecular formula C16H26F3N3O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea
PubChem CID71974453
Molecular FormulaC16H26F3N3O
Molecular Weight333.40 g/mol
Exact Mass333.20
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea
SMILESO=C(NC1CCN2CCCCC12)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C16H26F3N3O/c17-16(18,19)7-10-22(11-12-4-5-12)15(23)20-13-6-9-21-8-2-1-3-14(13)21/h12-14H,1-11H2,(H,20,23)
InChIKeyHILXCUYLIQNYJQ-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)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

3-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea
CID 97005925
2-[carboxymethyl(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)amino]acetic acid
CID 63644972
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
3-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-benzyl-1-(2,2-difluoroethyl)urea
CID 97082093
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480
2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid
CID 54967756
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
3-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 100876976
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
(E)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide
CID 75362671

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea (CID 71974453) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea is O=C(NC1CCN2CCCCC12)N(CCC(F)(F)F)CC1CC1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is HILXCUYLIQNYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O/c17-16(18,19)7-10-22(11-12-4-5-12)15(23)20-13-6-9-21-8-2-1-3-14(13)21/h12-14H,1-11H2,(H,20,23).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 333.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(cyclopropylmethyl)-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 71974453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).