N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

C15H28F3N3O2 — CID 97334278

IUPACN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)(C)CN(C)C
InChIInChI=1S/C15H28F3N3O2/c1-11(13(2,3)10-20(4)5)19-12(22)21-8-6-14(23,7-9-21)15(16,17)18/h11,23H,6-10H2,1-5H3,(H,19,22)/t11-/m0/s1
InChIKeyZXZQRQSDSUOUHY-NSHDSACASA-N
MW339.40 g/mol
LogP2.06
Rot. Bonds4

About N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334278) has the molecular formula C15H28F3N3O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334278
Molecular FormulaC15H28F3N3O2
Molecular Weight339.40 g/mol
Exact Mass339.21
IUPAC NameN-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)(C)CN(C)C
InChIInChI=1S/C15H28F3N3O2/c1-11(13(2,3)10-20(4)5)19-12(22)21-8-6-14(23,7-9-21)15(16,17)18/h11,23H,6-10H2,1-5H3,(H,19,22)/t11-/m0/s1
InChIKeyZXZQRQSDSUOUHY-NSHDSACASA-N
XLogP2.06
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334278) is N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)(C)CN(C)C.
What is the InChIKey of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is ZXZQRQSDSUOUHY-NSHDSACASA-N. The full InChI is InChI=1S/C15H28F3N3O2/c1-11(13(2,3)10-20(4)5)19-12(22)21-8-6-14(23,7-9-21)15(16,17)18/h11,23H,6-10H2,1-5H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).