N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide

C19H27FN2O2 — CID 95161026

IUPACN-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESCCN1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1
InChIInChI=1S/C19H27FN2O2/c1-2-22-11-3-4-17(14-22)21-18(23)19(9-12-24-13-10-19)15-5-7-16(20)8-6-15/h5-8,17H,2-4,9-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyHYLIKGDXGVVXAY-KRWDZBQOSA-N
MW334.43 g/mol
LogP2.47
Rot. Bonds4

About N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide

N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 95161026) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID95161026
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESCCN1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1
InChIInChI=1S/C19H27FN2O2/c1-2-22-11-3-4-17(14-22)21-18(23)19(9-12-24-13-10-19)15-5-7-16(20)8-6-15/h5-8,17H,2-4,9-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyHYLIKGDXGVVXAY-KRWDZBQOSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide (CID 95161026) is N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide is CCN1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is HYLIKGDXGVVXAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-2-22-11-3-4-17(14-22)21-18(23)19(9-12-24-13-10-19)15-5-7-16(20)8-6-15/h5-8,17H,2-4,9-14H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide?
N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 95161026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).