4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide

C12H21F3N2O3 — CID 110896184

IUPAC4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-7-1-4-16-11(19)17-5-2-10(8-18)3-6-17/h10,18H,1-9H2,(H,16,19)
InChIKeyGMBCLRKOEUVPRW-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.37
Rot. Bonds6

About 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide (PubChem CID 110896184) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
PubChem CID110896184
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-7-1-4-16-11(19)17-5-2-10(8-18)3-6-17/h10,18H,1-9H2,(H,16,19)
InChIKeyGMBCLRKOEUVPRW-UHFFFAOYSA-N
XLogP1.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
(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
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
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
N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 84598327
4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 86782210
3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 86817563

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide (CID 110896184) is 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide is O=C(NCCCOCC(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
The InChIKey is GMBCLRKOEUVPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c13-12(14,15)9-20-7-1-4-16-11(19)17-5-2-10(8-18)3-6-17/h10,18H,1-9H2,(H,16,19).
What are the key properties of 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110896184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).