1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea

C18H28F3N3O3 — CID 126825595

IUPAC1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(C(=O)CC(F)(F)F)CC1)NC(C1CC1)C1CCCCO1
InChIInChI=1S/C18H28F3N3O3/c19-18(20,21)11-15(25)24-8-6-13(7-9-24)22-17(26)23-16(12-4-5-12)14-3-1-2-10-27-14/h12-14,16H,1-11H2,(H2,22,23,26)
InChIKeyFCUJSFZXOYWUMM-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.58
Rot. Bonds5

About 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea

1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea (PubChem CID 126825595) has the molecular formula C18H28F3N3O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
PubChem CID126825595
Molecular FormulaC18H28F3N3O3
Molecular Weight391.43 g/mol
Exact Mass391.21
IUPAC Name1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(C(=O)CC(F)(F)F)CC1)NC(C1CC1)C1CCCCO1
InChIInChI=1S/C18H28F3N3O3/c19-18(20,21)11-15(25)24-8-6-13(7-9-24)22-17(26)23-16(12-4-5-12)14-3-1-2-10-27-14/h12-14,16H,1-11H2,(H2,22,23,26)
InChIKeyFCUJSFZXOYWUMM-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea with MolForge

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Related Compounds

2-cyclopropyl-3-oxo-3-[[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]propanoic acid
CID 154865673
N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
CID 126807373
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97244266
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38311387
N-cyclopropyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 74229943
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea (CID 126825595) is 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea is O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)NC(C1CC1)C1CCCCO1.
What is the InChIKey of 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea?
The InChIKey is FCUJSFZXOYWUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3O3/c19-18(20,21)11-15(25)24-8-6-13(7-9-24)22-17(26)23-16(12-4-5-12)14-3-1-2-10-27-14/h12-14,16H,1-11H2,(H2,22,23,26).
What are the key properties of 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea?
1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea has a molecular weight of 391.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(oxan-2-yl)methyl]-3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 126825595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).