N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

C14H26F3N3O2 — CID 75443029

IUPACN-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCN(CCNC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C
InChIInChI=1S/C14H26F3N3O2/c1-4-19(11(2)3)10-7-18-12(21)20-8-5-13(22,6-9-20)14(15,16)17/h11,22H,4-10H2,1-3H3,(H,18,21)
InChIKeyWWFBETJQFKRZKS-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.82
Rot. Bonds5

About N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 75443029) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID75443029
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCN(CCNC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C
InChIInChI=1S/C14H26F3N3O2/c1-4-19(11(2)3)10-7-18-12(21)20-8-5-13(22,6-9-20)14(15,16)17/h11,22H,4-10H2,1-3H3,(H,18,21)
InChIKeyWWFBETJQFKRZKS-UHFFFAOYSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (CID 75443029) is N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is CCN(CCNC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C.
What is the InChIKey of N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is WWFBETJQFKRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O2/c1-4-19(11(2)3)10-7-18-12(21)20-8-5-13(22,6-9-20)14(15,16)17/h11,22H,4-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75443029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).