4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C40H43FN6O3 — CID 90850687

IUPAC4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)C2)CC1
InChIInChI=1S/C40H43FN6O3/c41-33-13-15-34(16-14-33)42-40(50)46-24-22-45(23-25-46)38(48)31-12-7-19-47(28-31)35-17-20-44(21-18-35)39(49)32-26-36(29-8-3-1-4-9-29)43-37(27-32)30-10-5-2-6-11-30/h1-6,8-11,13-16,26-27,31,35H,7,12,17-25,28H2,(H,42,50)/t31-/m1/s1
InChIKeyHDNDOYKTIVRTHP-WJOKGBTCSA-N
MW674.82 g/mol
LogP6.25
Rot. Bonds6

About 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 90850687) has the molecular formula C40H43FN6O3 and a molecular weight of 674.82 g/mol. Its IUPAC name is 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID90850687
Molecular FormulaC40H43FN6O3
Molecular Weight674.82 g/mol
Exact Mass674.34
IUPAC Name4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)C2)CC1
InChIInChI=1S/C40H43FN6O3/c41-33-13-15-34(16-14-33)42-40(50)46-24-22-45(23-25-46)38(48)31-12-7-19-47(28-31)35-17-20-44(21-18-35)39(49)32-26-36(29-8-3-1-4-9-29)43-37(27-32)30-10-5-2-6-11-30/h1-6,8-11,13-16,26-27,31,35H,7,12,17-25,28H2,(H,42,50)/t31-/m1/s1
InChIKeyHDNDOYKTIVRTHP-WJOKGBTCSA-N
XLogP6.25
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.82
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 23589138
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 23589141
1-[4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 23589117
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 74243293
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95596844
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 90850687) is 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)C2)CC1.
What is the InChIKey of 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HDNDOYKTIVRTHP-WJOKGBTCSA-N. The full InChI is InChI=1S/C40H43FN6O3/c41-33-13-15-34(16-14-33)42-40(50)46-24-22-45(23-25-46)38(48)31-12-7-19-47(28-31)35-17-20-44(21-18-35)39(49)32-26-36(29-8-3-1-4-9-29)43-37(27-32)30-10-5-2-6-11-30/h1-6,8-11,13-16,26-27,31,35H,7,12,17-25,28H2,(H,42,50)/t31-/m1/s1.
What are the key properties of 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 674.82 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 90850687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).