4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide

C25H31FN2O2 — CID 92612290

IUPAC4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C25H31FN2O2/c26-22-11-7-10-21(18-22)25(12-16-30-17-13-25)24(29)27-19-23(20-8-3-1-4-9-20)28-14-5-2-6-15-28/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,27,29)/t23-/m1/s1
InChIKeyPBRYZDIVHPHDKA-HSZRJFAPSA-N
MW410.53 g/mol
LogP4.22
Rot. Bonds6

About 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide (PubChem CID 92612290) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
PubChem CID92612290
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C25H31FN2O2/c26-22-11-7-10-21(18-22)25(12-16-30-17-13-25)24(29)27-19-23(20-8-3-1-4-9-20)28-14-5-2-6-15-28/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,27,29)/t23-/m1/s1
InChIKeyPBRYZDIVHPHDKA-HSZRJFAPSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
CID 60596926
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685227
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255
1-(3-fluorophenyl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 71977317
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide (CID 92612290) is 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCCC1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide?
The InChIKey is PBRYZDIVHPHDKA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31FN2O2/c26-22-11-7-10-21(18-22)25(12-16-30-17-13-25)24(29)27-19-23(20-8-3-1-4-9-20)28-14-5-2-6-15-28/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,27,29)/t23-/m1/s1.
What are the key properties of 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide is sourced from PubChem (CID 92612290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).