N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

C14H26F3N3O2 — CID 97233632

IUPACN-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O2/c1-13(2,19(3)4)9-18-12(22)20-7-5-10(6-8-20)11(21)14(15,16)17/h10-11,21H,5-9H2,1-4H3,(H,18,22)/t11-/m0/s1
InChIKeyFBIVBZDHUBCDLP-NSHDSACASA-N
MW325.38 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 97233632) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID97233632
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O2/c1-13(2,19(3)4)9-18-12(22)20-7-5-10(6-8-20)11(21)14(15,16)17/h10-11,21H,5-9H2,1-4H3,(H,18,22)/t11-/m0/s1
InChIKeyFBIVBZDHUBCDLP-NSHDSACASA-N
XLogP1.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97239660
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468
N,N-diethyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75387290
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83266590
3-(1-Hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992272
3-(1-Hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992273

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (CID 97233632) is N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is CN(C)C(C)(C)CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is FBIVBZDHUBCDLP-NSHDSACASA-N. The full InChI is InChI=1S/C14H26F3N3O2/c1-13(2,19(3)4)9-18-12(22)20-7-5-10(6-8-20)11(21)14(15,16)17/h10-11,21H,5-9H2,1-4H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97233632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).