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

C23H27FN4O2 — CID 124819853

IUPAC(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C23H27FN4O2/c1-27-15-18(22(29)26-20-4-2-3-19(24)14-20)13-21(27)16-7-11-28(12-8-16)23(30)17-5-9-25-10-6-17/h2-6,9-10,14,16,18,21H,7-8,11-13,15H2,1H3,(H,26,29)/t18-,21+/m1/s1
InChIKeyRRGQNNGSPXJTOA-NQIIRXRSSA-N
MW410.49 g/mol
LogP3.03
Rot. Bonds4

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

(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 124819853) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID124819853
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C23H27FN4O2/c1-27-15-18(22(29)26-20-4-2-3-19(24)14-20)13-21(27)16-7-11-28(12-8-16)23(30)17-5-9-25-10-6-17/h2-6,9-10,14,16,18,21H,7-8,11-13,15H2,1H3,(H,26,29)/t18-,21+/m1/s1
InChIKeyRRGQNNGSPXJTOA-NQIIRXRSSA-N
XLogP3.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124816164
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
(3S,5R)-1-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92607880
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240243
N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956843
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-(4-fluorophenyl)-5-[1-(2-methoxybenzoyl)piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 46956842
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 124819853) is (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is RRGQNNGSPXJTOA-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-27-15-18(22(29)26-20-4-2-3-19(24)14-20)13-21(27)16-7-11-28(12-8-16)23(30)17-5-9-25-10-6-17/h2-6,9-10,14,16,18,21H,7-8,11-13,15H2,1H3,(H,26,29)/t18-,21+/m1/s1.
What are the key properties of (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
(3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124819853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).