N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C17H22F3N3O3 — CID 155949330

IUPACN-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NOCC1CCOC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H22F3N3O3/c18-17(19,20)14-1-2-15(21-9-14)23-6-3-13(4-7-23)16(24)22-26-11-12-5-8-25-10-12/h1-2,9,12-13H,3-8,10-11H2,(H,22,24)
InChIKeySVWULHMQQNFKFL-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.40
Rot. Bonds5

About N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 155949330) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID155949330
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NOCC1CCOC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H22F3N3O3/c18-17(19,20)14-1-2-15(21-9-14)23-6-3-13(4-7-23)16(24)22-26-11-12-5-8-25-10-12/h1-2,9,12-13H,3-8,10-11H2,(H,22,24)
InChIKeySVWULHMQQNFKFL-UHFFFAOYSA-N
XLogP2.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 155949330) is N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(NOCC1CCOC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SVWULHMQQNFKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c18-17(19,20)14-1-2-15(21-9-14)23-6-3-13(4-7-23)16(24)22-26-11-12-5-8-25-10-12/h1-2,9,12-13H,3-8,10-11H2,(H,22,24).
What are the key properties of N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 155949330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).