4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide

C20H29FN2O2 — CID 94674198

IUPAC4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C20H29FN2O2/c1-16-5-2-3-11-23(16)12-10-22-19(24)20(8-13-25-14-9-20)17-6-4-7-18(21)15-17/h4,6-7,15-16H,2-3,5,8-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyJVWLBVBCBWGWDW-INIZCTEOSA-N
MW348.46 g/mol
LogP2.86
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 94674198) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID94674198
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C20H29FN2O2/c1-16-5-2-3-11-23(16)12-10-22-19(24)20(8-13-25-14-9-20)17-6-4-7-18(21)15-17/h4,6-7,15-16H,2-3,5,8-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyJVWLBVBCBWGWDW-INIZCTEOSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94676201
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 120939231
4-(3-methylphenyl)-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100681078
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide
CID 86901785
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 53110533
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide (CID 94674198) is 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide is C[C@H]1CCCCN1CCNC(=O)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is JVWLBVBCBWGWDW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-16-5-2-3-11-23(16)12-10-22-19(24)20(8-13-25-14-9-20)17-6-4-7-18(21)15-17/h4,6-7,15-16H,2-3,5,8-14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 94674198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).