4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C15H25F3N2O3 — CID 97334275

IUPAC4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCO[C@@]1(C)C[C@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C15H25F3N2O3/c1-12(2)10(9-13(12,3)23-4)19-11(21)20-7-5-14(22,6-8-20)15(16,17)18/h10,22H,5-9H2,1-4H3,(H,19,21)/t10-,13-/m0/s1
InChIKeyCDYXMQKUHYYYEC-GWCFXTLKSA-N
MW338.37 g/mol
LogP2.29
Rot. Bonds2

About 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334275) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334275
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCO[C@@]1(C)C[C@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C15H25F3N2O3/c1-12(2)10(9-13(12,3)23-4)19-11(21)20-7-5-14(22,6-8-20)15(16,17)18/h10,22H,5-9H2,1-4H3,(H,19,21)/t10-,13-/m0/s1
InChIKeyCDYXMQKUHYYYEC-GWCFXTLKSA-N
XLogP2.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxy-2,2,3-trimethylcyclobutyl)-3-(3,3,3-trifluoropropyl)urea
CID 71985601
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471770
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471771
4-hydroxy-N-[(1-propylcyclobutyl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 84598833
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566037
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566038
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566039
1-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(3,3,3-trifluoropropyl)urea
CID 96566040
4-hydroxy-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334272
4-hydroxy-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334273
4-hydroxy-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334274

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334275) is 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide is CO[C@@]1(C)C[C@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is CDYXMQKUHYYYEC-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-12(2)10(9-13(12,3)23-4)19-11(21)20-7-5-14(22,6-8-20)15(16,17)18/h10,22H,5-9H2,1-4H3,(H,19,21)/t10-,13-/m0/s1.
What are the key properties of 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).