N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C28H37FN2O3 — CID 171343945

IUPACN-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCC1CCN(Cc3ccccc3F)CC1)O2
InChIInChI=1S/C28H37FN2O3/c1-18-19(2)26-23(20(3)25(18)32)9-13-28(4,34-26)27(33)30-14-10-21-11-15-31(16-12-21)17-22-7-5-6-8-24(22)29/h5-8,21,32H,9-17H2,1-4H3,(H,30,33)
InChIKeyKQDHFACJRWAFSW-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.96
Rot. Bonds6

About N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 171343945) has the molecular formula C28H37FN2O3 and a molecular weight of 468.61 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID171343945
Molecular FormulaC28H37FN2O3
Molecular Weight468.61 g/mol
Exact Mass468.28
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCC1CCN(Cc3ccccc3F)CC1)O2
InChIInChI=1S/C28H37FN2O3/c1-18-19(2)26-23(20(3)25(18)32)9-13-28(4,34-26)27(33)30-14-10-21-11-15-31(16-12-21)17-22-7-5-6-8-24(22)29/h5-8,21,32H,9-17H2,1-4H3,(H,30,33)
InChIKeyKQDHFACJRWAFSW-UHFFFAOYSA-N
XLogP4.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 171343945) is N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCC1CCN(Cc3ccccc3F)CC1)O2.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is KQDHFACJRWAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2O3/c1-18-19(2)26-23(20(3)25(18)32)9-13-28(4,34-26)27(33)30-14-10-21-11-15-31(16-12-21)17-22-7-5-6-8-24(22)29/h5-8,21,32H,9-17H2,1-4H3,(H,30,33).
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 171343945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).