(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

C24H31FN4O — CID 92563409

IUPAC(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCc1cnccc1CN1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)CN2C)CC1
InChIInChI=1S/C24H31FN4O/c1-17-14-26-10-7-19(17)16-29-11-8-18(9-12-29)23-13-20(15-28(23)2)24(30)27-22-5-3-21(25)4-6-22/h3-7,10,14,18,20,23H,8-9,11-13,15-16H2,1-2H3,(H,27,30)/t20-,23+/m0/s1
InChIKeyJYFAVJMKALYGLJ-NZQKXSOJSA-N
MW410.54 g/mol
LogP3.70
Rot. Bonds5

About (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 92563409) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID92563409
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCc1cnccc1CN1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)CN2C)CC1
InChIInChI=1S/C24H31FN4O/c1-17-14-26-10-7-19(17)16-29-11-8-18(9-12-29)23-13-20(15-28(23)2)24(30)27-22-5-3-21(25)4-6-22/h3-7,10,14,18,20,23H,8-9,11-13,15-16H2,1-2H3,(H,27,30)/t20-,23+/m0/s1
InChIKeyJYFAVJMKALYGLJ-NZQKXSOJSA-N
XLogP3.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 92589623
(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
(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
N-(4-fluorophenyl)-1-methyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956837
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956843
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240243
(3R,5R)-N-(4-fluorophenyl)-5-[1-(2-methoxyacetyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607838
(3S,5R)-1-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92607880

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 92563409) is (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is Cc1cnccc1CN1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)CN2C)CC1.
What is the InChIKey of (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is JYFAVJMKALYGLJ-NZQKXSOJSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-17-14-26-10-7-19(17)16-29-11-8-18(9-12-29)23-13-20(15-28(23)2)24(30)27-22-5-3-21(25)4-6-22/h3-7,10,14,18,20,23H,8-9,11-13,15-16H2,1-2H3,(H,27,30)/t20-,23+/m0/s1.
What are the key properties of (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92563409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).