(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C23H28FN5O2 — CID 93240243

IUPAC(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1
InChIInChI=1S/C23H28FN5O2/c1-15-12-26-20(13-25-15)23(31)29-9-7-16(8-10-29)21-11-17(14-28(21)2)22(30)27-19-5-3-18(24)4-6-19/h3-6,12-13,16-17,21H,7-11,14H2,1-2H3,(H,27,30)/t17-,21-/m0/s1
InChIKeyFNYHEDBPVFEEBU-UWJYYQICSA-N
MW425.51 g/mol
LogP2.74
Rot. Bonds4

About (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 93240243) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID93240243
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1
InChIInChI=1S/C23H28FN5O2/c1-15-12-26-20(13-25-15)23(31)29-9-7-16(8-10-29)21-11-17(14-28(21)2)22(30)27-19-5-3-18(24)4-6-19/h3-6,12-13,16-17,21H,7-11,14H2,1-2H3,(H,27,30)/t17-,21-/m0/s1
InChIKeyFNYHEDBPVFEEBU-UWJYYQICSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956843
N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 46956842
(3R,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565447
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565446
(3R,5R)-N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607838
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92581391
N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956838
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240238
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92563409
(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 92589623
(3S,5S)-5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 124817134
(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124819853

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 93240243) is (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is Cc1cnc(C(=O)N2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1.
What is the InChIKey of (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is FNYHEDBPVFEEBU-UWJYYQICSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-15-12-26-20(13-25-15)23(31)29-9-7-16(8-10-29)21-11-17(14-28(21)2)22(30)27-19-5-3-18(24)4-6-19/h3-6,12-13,16-17,21H,7-11,14H2,1-2H3,(H,27,30)/t17-,21-/m0/s1.
What are the key properties of (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 93240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).